466	727	956	0:SP3_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:1:	3:3:4:	4:4:4:	C[5a,6]-3:C[6]-3:N-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NCS)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN)	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NCS)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN){2|H<1>,4|C<3>}	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(CH3)	113.3360	0.000	1	113.3360	0.000	1	113.3360	0.000	1	113.3360	0.000	1	110.2818	5.456	4	110.2818	5.456	4
466	727	956	0:SP3_SP2_SP2	C[6]	C[5a,6]	N	3:4:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H)	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	N(C[6]C[5a,6]C[6]H)(CCO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN){1|C<4>,1|S<4>,2|H<1>,2|O<1>}	N(C[6]C[5a,6]C[6]H)(CCO)(H)	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	109.8100	2.138	2	110.2818	5.456	4	110.2818	5.456	4
466	727	956	0:SP3_SP2_SP2	C[6]	C[5a,6]	N	3:4:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HN)	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H){2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(H)	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	109.8100	2.138	2	110.2818	5.456	4	110.2818	5.456	4
466	727	956	0:SP3_SP2_SP2	C[6]	C[5a,6]	N	3:4:3:1:	3:3:4:	4:4:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HN)	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	108.1710	0.000	1	108.1710	0.000	1	108.1710	0.000	1	108.1710	0.000	1	110.2818	5.456	4	110.2818	5.456	4
466	727	956	0:SP3_SP2_SP3	C[6]	C[5a,6]	N	3:3:3:1:	3:3:4:	4:4:2:	C[5a,6]-3:C[6]-3:N-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6]-4:C-4:O-2:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN)	N(C[6]C[5a,6]C[6]H)(CCHH)(OC)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N(C[6]C[5a,6]C[6]H)(CCHH)(OC)	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	111.4941	2.419	9	110.2902	6.546	12
466	727	956	0:SP3_SP2_SP3	C[6]	C[5a,6]	N	3:3:3:3:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-3:C-3:N-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6]-4:O-2:H-1:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(COO)(NHO)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CN)	N(C[6]C[5a,6]C[6]C)(OC)(H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(COO)(NHO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N(C[6]C[5a,6]C[6]C)(OC)(H)	110.8270	0.000	1	110.8270	0.000	1	110.8270	0.000	1	110.8270	0.000	1	111.4941	2.419	9	110.2902	6.546	12
466	727	956	0:SP3_SP2_SP3	C[6]	C[5a,6]	N	3:4:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:S-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HN)	N(C[6]C[5a,6]C[6]H)(SCO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HN){2|C<4>,4|H<1>}	N(C[6]C[5a,6]C[6]H)(SCO)(H)	112.3910	0.000	1	112.3910	0.000	1	112.3910	0.000	1	112.3910	0.000	1	111.4941	2.419	9	110.2902	6.546	12
466	727	956	0:SP3_SP2_SP3	C[6]	C[5a,6]	N	3:4:3:1:	3:3:4:	4:3:2:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C[6a]-3:O-2:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HN)	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HN){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)	111.3500	0.000	1	111.3500	0.000	1	111.3500	0.000	1	111.3500	0.000	1	111.4941	2.419	9	110.2902	6.546	12
466	727	956	0:SP3_SP2_SP3	C[6]	C[5a,6]	N	3:4:3:1:	3:3:4:	4:4:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H)	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	N(C[6]C[5a,6]C[6]H)(CCHH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<4>}	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN){1|N<3>,1|S<4>,2|H<1>,2|O<1>}	N(C[6]C[5a,6]C[6]H)(CCHH)(H)	113.2140	0.000	1	113.2140	0.000	1	113.2140	0.000	1	111.6483	3.114	3	111.4941	2.419	9	110.2902	6.546	12
466	727	956	0:SP3_SP2_SP3	C[6]	C[5a,6]	N	3:4:3:1:	3:3:4:	4:4:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HN)	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	111.6483	3.114	3	111.4941	2.419	9	110.2902	6.546	12
466	727	956	0:SP3_SP2_SP3	C[6]	C[5a,6]	N	3:4:3:1:	3:3:4:	4:4:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN)	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,3|H<1>}	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	111.9950	0.000	1	111.9950	0.000	1	111.9950	0.000	1	111.6483	3.114	3	111.4941	2.419	9	110.2902	6.546	12
466	727	956	0:SP3_SP2_SP3	C[6]	C[5a,6]	N	3:4:3:1:	3:3:4:	4:4:3:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C-4:S-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HN)	N(C[6]C[5a,6]C[6]H)(CCHH)(SCO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HN){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	N(C[6]C[5a,6]C[6]H)(CCHH)(SCO)	113.1070	0.000	1	113.1070	0.000	1	113.1070	0.000	1	113.1070	0.000	1	111.4941	2.419	9	110.2902	6.546	12
466	727	956	0:SP3_SP2_SP3	C[6]	C[5a,6]	N	3:4:3:1:	3:4:2:	4:4:4:	C[5a,6]-3:C[6,6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:C-4:C-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a])	N(C[6]C[5a,6]C[6,6]H)(CH3)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N(C[6]C[5a,6]C[6,6]H)(CH3)2	112.2640	0.000	1	112.2640	0.000	1	112.2640	0.000	1	112.2640	0.000	1	111.4941	2.419	9	110.2902	6.546	12
466	727	956	0:SP3_SP2_SP3	C[6]	C[5a]	N	3:4:4:3:	3:4:2:	4:3:1:	C[5a]-3:C[6]-4:C[6]-4:N-3:	N[5a]-3:C[6]-4:N[5a]-2:	C[6]-4:N-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NHN)	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a])	N(C[6]C[5a]C[6]2)(NCH)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NHN){2|C<4>,2|N<2>,4|H<1>}	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	N(C[6]C[5a]C[6]2)(NCH)(H)	106.4760	0.472	2	106.4760	0.223	2	106.4760	0.223	2	106.4760	0.223	2	106.6783	0.234	3	110.2902	6.546	12
466	727	956	0:SP3_SP2_SP3	C[6]	C[5a]	N	3:4:4:3:	3:4:2:	4:4:1:	C[5a]-3:C[6]-4:C[6]-4:N-3:	N[5a]-3:C[6]-4:N[5a]-2:	C[6]-4:C[3]-4:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NC[3]H)	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a])	N(C[6]C[5a]C[6]2)(C[3]C[3]2H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NC[3]H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	N(C[6]C[5a]C[6]2)(C[3]C[3]2H)(H)	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	106.6783	0.234	3	110.2902	6.546	12
466	727	983	0:SP3_SP1_SP2	C[6]	C[5a,6]	C	3:3:2:1:	3:4:3:	4:2:	C[5a,6]-3:C[6,6a]-3:C-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]CH)(C[5a]C[5a]H)	C(C[6]C[5a,6]C[6,6a]H)(CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC)(H){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]CH)(C[5a]C[5a]H){2|C<3>,3|H<1>}	C(C[6]C[5a,6]C[6,6a]H)(CH)	109.6215	1.088	2	109.6215	1.184	2	109.6215	1.184	2	109.6215	1.184	2	110.2452	4.155	11	110.1623	3.571	13
466	727	983	0:SP3_SP1_SP2	C[6]	C[5a,6]	C	3:3:2:2:	3:3:4:	4:1:	C[5a,6]-3:N[6]-3:C-2:S-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[5a]C[6])(CN)(SS)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]N[6]CS)	C(C[6]C[5a,6]N[6]S)(N)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[5a]C[6])(CN)(SS){1|C<2>,1|C<3>,1|C<4>,2|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]N[6]CS){1|C<4>,2|C<3>}	C(C[6]C[5a,6]N[6]S)(N)	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	110.2452	4.155	11	110.1623	3.571	13
466	727	983	0:SP3_SP1_SP2	C[6]	C[5a,6]	C	3:3:4:2:	3:3:4:	4:1:	C[5a,6]-3:N[6]-3:C-4:C-2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CC)	C(C[6]C[5a,6]N[6]C)(N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]C)(N)	107.4195	2.453	2	107.4195	6.017	2	107.4195	6.017	2	107.4195	6.017	2	110.2452	4.155	11	110.1623	3.571	13
466	727	983	0:SP3_SP1_SP2	C[6]	C[5a,6]	C	3:4:2:1:	3:4:2:	4:1:	C[5a,6]-3:C[6]-4:C-2:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:N-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[6]C[6]CH)(N[5a]N[5a])	C(C[6]C[5a,6]C[6]H)(N)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H){2|C<3>,2|N<2>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[6]C[6]CH)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(N)	110.8630	0.000	1	110.8630	0.000	1	110.8630	0.000	1	110.8630	0.000	1	110.2452	4.155	11	110.1623	3.571	13
466	727	983	0:SP3_SP1_SP2	C[6]	C[5a,6]	C	3:4:2:2:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:C-2:C-2:	C[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6]C[6,6a]CC)(CN)2	C[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	C(C[6]C[5a,6]C[6]C)(N)	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6]C[6,6a]CC)(CN)2{2|N<3>,3|C<3>}	C[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){2|C<2>,6|C<3>}	C(C[6]C[5a,6]C[6]C)(N)	112.7540	0.020	2	112.7540	0.000	2	112.7540	0.000	2	111.6850	1.580	4	110.2452	4.155	11	110.1623	3.571	13
466	727	983	0:SP3_SP1_SP2	C[6]	C[5a,6]	C	3:4:2:2:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:C-2:C-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CN)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC)	C(C[6]C[5a,6]C[6]C)(N)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CN)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC){2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6]C)(N)	110.6160	0.410	2	110.6160	0.168	2	110.6160	0.168	2	111.6850	1.580	4	110.2452	4.155	11	110.1623	3.571	13
466	727	983	0:SP3_SP1_SP2	C[6]	C[5a,6]	C	3:4:4:2:	3:3:4:	4:2:	C[5a,6]-3:C[6]-4:C-4:C-2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C-2:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CC)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CC)	C(C[6]C[5a,6]C[6]C)(CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CC){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CC){1|C<4>,6|H<1>}	C(C[6]C[5a,6]C[6]C)(CC)	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	110.2452	4.155	11	110.1623	3.571	13
466	727	983	0:SP3_SP1_SP2	C[6]	C[5a]	C	3:4:4:2:	2:2:4:	4:1:	C[5a]-3:C[6]-4:C[6]-4:C-2:	N[5a]-2:S[5a]-2:C[6]-4:	C[6]-4:N-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2C)	C(C[6]C[5a]C[6]2)(N)	C[6](C[5a]N[5a]S[5a])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN){1|C<4>,5|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2C){1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[5a]C[6]2)(N)	110.3420	0.000	1	110.3420	0.000	1	110.3420	0.000	1	110.3420	0.000	1	109.7065	0.808	2	110.1623	3.571	13
466	727	983	0:SP3_SP1_SP2	C[6]	C[5a]	C	3:4:4:2:	3:3:4:	4:1:	C[5a]-3:C[6]-4:C[6]-4:C-2:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6]C[6]2C)	C(C[6]C[5a]C[6]2)(N)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(CN){1|N<3>,1|S<2>,2|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6]C[6]2C){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[5a]C[6]2)(N)	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	109.7065	0.808	2	110.1623	3.571	13
466	727	992	0:SP3_SP2_SP3	C[6]	C[5a,6]	P	3:3:4:1:	3:4:3:	4:2:2:1:	C[5a,6]-3:C[6,6a]-3:P-4:H-1:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	C[6]-4:O-2:O-2:O-1:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6,6a]C[6a])(PO3)(H)	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(C[6]C[6,6a]HP)(C[5a]N[5a]H)	P(C[6]C[5a,6]C[6,6a]H)(OC)2(O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6,6a]C[6a])(PO3)(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(C[6]C[6,6a]HP)(C[5a]N[5a]H){1|C<4>,3|C<3>}	P(C[6]C[5a,6]C[6,6a]H)(OC)2(O)	108.9345	0.725	2	108.9345	0.525	2	108.9345	0.525	2	108.9345	0.525	2	108.9345	0.525	2	108.9345	0.525	2
466	742	951	0:SP3_SP-NON_SP3	C[6,6]	B[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	B[4,6,6]-4:N[4,6,6]-4:H-1:H-1:	N[4,6,6]-4:N[4,6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](B[4,6,6]N[4,6,6]2H)(N[4,6,6]B[4,6,6]2H)(H)2	B[4,6,6](N[4,6,6]B[4,6,6]C[6,6]H)2(C[6,6]N[4,6,6]HH)(H)	H(C[6,6]B[4,6,6]N[4,6,6]H)	C[6,6](B[4,6,6]N[4,6,6]2H)(N[4,6,6]B[4,6,6]2H)(H)2{1|B<4>,1|N<4>,2|C<4>,4|H<1>}	B[4,6,6](N[4,6,6]B[4,6,6]C[6,6]H)2(C[6,6]N[4,6,6]HH)(H){1|C<4>,2|B<4>,6|H<1>}	H(C[6,6]B[4,6,6]N[4,6,6]H)	110.9523	0.981	14	110.9523	0.963	14	110.9523	0.963	14	110.9523	0.963	14	110.6806	1.395	16	110.1848	3.314	18
466	742	951	0:SP3_SP-NON_SP3	C[6,6]	B[4,6,6]	H	4:4:4:1:	3:4:4:3:	4:	B[4,6,6]-4:C[6]-4:C[6]-4:H-1:	N[4]-3:C[6,6]-4:C[6,6]-4:N[4]-3:	C[6,6]-4:	C[6,6](B[4,6,6]C[6,6]N[4]2)(C[6]C[6]HH)2(H)	B[4,6,6](N[4]C[6a]C[4])(C[6,6]C[6]2H)2(N[4]C[4]C)	H(C[6,6]B[4,6,6]C[6]2)	C[6,6](B[4,6,6]C[6,6]N[4]2)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	B[4,6,6](N[4]C[6a]C[4])(C[6,6]C[6]2H)2(N[4]C[4]C){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	H(C[6,6]B[4,6,6]C[6]2)	108.7790	0.386	2	108.7790	0.149	2	108.7790	0.149	2	108.7790	0.149	2	110.6806	1.395	16	110.1848	3.314	18
466	742	951	0:SP3_SP-NON_SP3	C[6]	B[4]	H	4:4:4:1:	3:4:4:3:	4:	B[4]-4:C[6]-4:C[6]-4:H-1:	N[4]-3:C[6]-4:C[6]-4:N[4]-3:	C[6]-4:	C[6](B[4]C[6]N[4]2)(C[6]C[6]HH)2(H)	B[4](N[4]C[6a]C[4])(C[6]C[6]2H)2(N[4]C[4]C)	H(C[6]B[4]C[6]2)	C[6](B[4]C[6]N[4]2)(C[6]C[6]HH)2(H){2|C<3>,4|C<4>,5|H<1>}	B[4](N[4]C[6a]C[4])(C[6]C[6]2H)2(N[4]C[4]C){1|N<3>,2|C<3>,4|C<4>,8|H<1>}	H(C[6]B[4]C[6]2)	106.2180	0.037	2	106.2180	0.001	2	106.2180	0.001	2	106.2180	0.001	2	106.2180	0.001	2	110.1848	3.314	18
466	742	980	6:SP3_SP3_SP3	C[6,6]	B[4,6,6]	N[4,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	B[4,6,6]-4:N[4,6,6]-4:H-1:H-1:	N[4,6,6]-4:N[4,6,6]-4:C[6,6]-4:H-1:	B[4,6,6]-4:B[4,6,6]-4:C[6,6]-4:H-1:	C[6,6](B[4,6,6]N[4,6,6]2H)(N[4,6,6]B[4,6,6]2H)(H)2	B[4,6,6](N[4,6,6]B[4,6,6]C[6,6]H)2(C[6,6]N[4,6,6]HH)(H)	N[4,6,6](B[4,6,6]N[4,6,6]C[6,6]H)2(C[6,6]B[4,6,6]HH)(H)	C[6,6](B[4,6,6]N[4,6,6]2H)(N[4,6,6]B[4,6,6]2H)(H)2{1|B<4>,1|N<4>,2|C<4>,4|H<1>}	B[4,6,6](N[4,6,6]B[4,6,6]C[6,6]H)2(C[6,6]N[4,6,6]HH)(H){1|C<4>,2|B<4>,6|H<1>}	N[4,6,6](B[4,6,6]N[4,6,6]C[6,6]H)2(C[6,6]B[4,6,6]HH)(H){1|C<4>,2|N<4>,6|H<1>}	110.5255	0.165	8	110.5255	0.027	8	110.5255	0.027	8	110.5255	0.027	8	110.5255	0.027	8	110.5255	0.027	8
466	762	762	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6]	4:2:3:3:	4:3:3:	4:4:1:	C[6,6]-4:O[6,6]-2:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6]-4:C[6]-4:O-1:	C[3x6](C[6,6]C[6,6]C[6]C)(O[6,6]C[5,6,6])(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]H)(C[6]O[6]O)	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[5,6]HH)(O)	C[3x6](C[6,6]C[6,6]C[6]C)(O[6,6]C[5,6,6])(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]H)(C[6]O[6]O){1|O<1>,2|H<1>,5|C<4>}	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[5,6]HH)(O){1|H<1>,2|C<3>,5|C<4>}	108.8330	0.000	1	108.8330	0.000	1	108.8330	0.000	1	108.8330	0.000	1	112.4770	9.960	3	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6]	4:3:3:3:	4:3:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	114.2990	0.042	2	114.2990	0.002	2	114.2990	0.002	2	114.2990	0.002	2	112.4770	9.960	3	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[3x6]	C[6]	C[6,6]	4:3:3:3:	4:3:3:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2){1|O<1>,4|C<4>,5|H<1>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O){1|C<4>,3|C<3>,4|H<1>}	110.5085	0.139	2	110.5085	0.019	2	110.5085	0.019	2	110.5085	0.019	2	110.5085	0.019	2	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[3x6]	C[6]	C[6]	3:4:3:3:	4:3:1:	4:2:1:	C[6,6a]-3:C[3x6]-4:C[6]-3:C[6]-3:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:O[6]-2:O-1:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]H)(O)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(O[6]C[6])(O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O){1|I<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(O[6]C[6])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	110.7880	0.000	1	110.7880	0.000	1	110.7880	0.000	1	110.7880	0.000	1	110.7880	0.000	1	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6]	3:4:3:3:	4:3:1:	4:3:1:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6]-3:O-1:	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O)	C[6,6](C[4x6]N[5a,6,6]C[3x6]C[6])(C[6,6]C[4x6]H)(H)	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]H)(O)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[4x6]N[5a,6,6]C[3x6]C[6])(C[6,6]C[4x6]H)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	115.2480	0.468	2	115.2480	0.219	2	115.2480	0.219	2	115.2480	0.219	2	113.3616	11.338	7	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6]	4:4:3:3:	4:2:1:	4:3:1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:O[6,6]-2:O-1:	C[4x6]-4:N[6]-3:H-1:	C[4x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]N[6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[3x6])(O)	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]O[6]O)(H)	C[4x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]N[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[3x6])(O){1|N<3>,4|C<4>,4|H<1>}	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]O[6]O)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	108.9385	1.650	2	108.9385	2.721	2	108.9385	2.721	2	111.8440	26.687	3	113.3616	11.338	7	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6]	4:4:3:3:	4:2:1:	4:3:1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:O[6,6]-2:O-1:	C[4x6]-4:C[6]-3:H-1:	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]H)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	117.6550	0.000	1	117.6550	0.000	1	117.6550	0.000	1	111.8440	26.687	3	113.3616	11.338	7	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6]	4:4:3:3:	4:3:1:	3:4:1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[4x6]-4:O-1:	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[4x6]C[3x6]C[6,6]2)(O)	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[4x6]C[3x6]C[6,6]2)(O){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	113.9820	0.000	1	113.9820	0.000	1	113.9820	0.000	1	113.9820	0.000	1	113.3616	11.338	7	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6a]-3:O-1:	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(O)	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|C<3>,3|H<1>,3|O<2>}	113.5210	0.000	1	113.5210	0.000	1	113.5210	0.000	1	113.5210	0.000	1	113.3616	11.338	7	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[4x6]	C[6]	C[6,6]	4:4:3:3:	4:3:1:	4:2:1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:C[6]-3:H-1:	C[4x6]-4:O[6,6]-2:O-1:	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]H)(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[5,3x6])(O)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[5,3x6])(O){2|C<3>,3|C<4>,4|H<1>}	115.9530	0.069	2	115.9530	0.005	2	115.9530	0.005	2	115.9530	0.005	2	115.9530	0.005	2	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])2(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	111.3200	0.000	1	111.3200	0.000	1	111.3200	0.000	1	111.3200	0.000	1	108.2037	7.548	3	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	4:3:3:2:	4:3:4:	4:3:2:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-2:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:N[6]-2:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6,6]N[6,6]N[6])(CN)	C[6,6](C[6,6]C[3x6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[3x6]C[6,6]C)(N[6,6]C[6,6]C[6])(N[6]C[6,6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6,6]N[6,6]N[6])(CN){1|C<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6,6]C)(N[6,6]C[6,6]C[6])(N[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	106.6455	0.728	2	106.6455	0.529	2	106.6455	0.529	2	106.6455	0.529	2	108.2037	7.548	3	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:4:	4:4:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>}	112.5570	0.000	1	112.5570	0.000	1	112.5570	0.000	1	112.5570	0.000	1	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:4:	3:4:3:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6,6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6,6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,9|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	3:4:3:	3:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]){1|Si<4>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O){1|C<4>,2|H<1>,5|C<3>}	114.4560	0.000	1	114.4560	0.000	1	114.4560	0.000	1	114.4560	0.000	1	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6,6a]O)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	111.5340	0.000	1	111.5340	0.000	1	111.5340	0.000	1	111.5340	0.000	1	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	110.9500	0.000	1	110.9500	0.000	1	110.9500	0.000	1	110.9500	0.000	1	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:2:	4:3:3:	4:3:1:	C[6,6]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]C[6]H)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:3:3:	4:3:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	110.8180	0.000	1	110.8180	0.000	1	110.8180	0.000	1	110.8180	0.000	1	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:3:4:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	110.7080	0.000	1	110.7080	0.000	1	110.7080	0.000	1	110.7080	0.000	1	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:3:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	110.7170	0.051	2	110.7170	0.003	2	110.9145	0.576	4	110.9145	0.576	4	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:3:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.1120	1.253	2	111.1120	1.570	2	110.9145	0.576	4	110.9145	0.576	4	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,2|O<1>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	110.0420	0.000	1	109.5180	0.571	3	109.5180	0.571	3	110.0522	0.871	5	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,2|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	109.2560	0.854	2	109.5180	0.571	3	109.5180	0.571	3	110.0522	0.871	5	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){2|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	110.8535	0.449	2	110.8535	0.202	2	110.8535	0.202	2	110.0522	0.871	5	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:4:3:	4:3:4:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	103.5950	0.000	1	103.5950	0.000	1	103.5950	0.000	1	103.5950	0.000	1	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:1:	4:3:3:	4:2:1:	C[5,6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(O[6]C[5,6,6])(O)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(O[6]C[5,6,6])(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:2:	4:3:4:	4:2:3:	C[3x6]-4:C[6,6]-3:C[6]-3:C-2:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:N[6]-2:N-3:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]N[6]N)(CN)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6,6]C)(N[6]C[6])(NHH)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]N[6]N)(CN){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	105.2940	0.000	1	105.2940	0.000	1	105.2940	0.000	1	105.2940	0.000	1	110.3622	5.644	20	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:2:3:3:	4:3:1:	4:3:1:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H){1|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H){1|H<1>,5|C<3>}	111.1527	0.788	4	111.1527	0.620	4	111.1527	0.620	4	111.1527	0.620	4	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[3,6,6]O)(C[6]C[6]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H)	C[6,6](C[6,6]C[3,6,6]O)(C[6]C[6]H)2(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	104.9010	0.000	1	104.9010	0.000	1	104.9010	0.000	1	104.9010	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C-3:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH){2|H<1>,3|C<3>}	116.8830	0.792	3	116.8830	0.628	3	116.8830	0.628	3	116.8830	0.628	3	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:2:	3:4:1:	4:3:1:	C[6]-3:C[6]-3:N[6,6]-3:O-2:	C[5a,6]-3:C[6,6]-4:O-1:	C[6,6]-4:N[5,6]-3:O-1:	C[6,6](C[6]C[5a,6]O)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(O)	C[6](C[6,6]N[6,6]C[6]O)(N[5,6]C[5,6]C[5])(O)	C[6,6](C[6]C[5a,6]O)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[6](C[6,6]N[6,6]C[6]O)(N[5,6]C[5,6]C[5])(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6]H)2(C[6]N[6]O)(O[6]C[6])	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(N[6]C[6]C)(O)	C[6,6](C[6]C[6]H)2(C[6]N[6]O)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6]2O[6])(N[6]C[6]C)(O){2|H<1>,4|C<3>}	108.0715	1.287	4	108.0715	1.656	4	108.0715	1.656	4	108.0715	1.656	4	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:3:	C[5a,6]-3:N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:N-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6a]C[6])(O)	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6]H)(NOO)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6]H)(NOO){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:4:1:	C[6,6]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	111.7030	0.000	1	111.7030	0.000	1	111.7030	0.000	1	111.7030	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|H<1>,2|C<3>,2|O<2>}	110.8690	0.000	1	110.8690	0.000	1	110.8690	0.000	1	110.2375	0.798	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6])(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6])(H){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	110.2375	0.798	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:4:4:3:	3:4:3:	4:3:1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)	C[6](C[6,6]C[6]3)(C[6]O[6]H)(H)	C[6,6](C[6]C[6,6a]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6]3)(C[6]O[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	114.2160	0.000	1	114.2160	0.000	1	113.6840	0.566	2	113.6840	0.566	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:4:4:3:	3:4:3:	4:3:1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHH)	C[6](C[6,6]C[6]3)(C[6]O[6]H)(H)	C[6,6](C[6]C[6,6a]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6]3)(C[6]O[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	113.1520	0.000	1	113.1520	0.000	1	113.6840	0.566	2	113.6840	0.566	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:4:4:3:	3:4:4:	4:2:1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[5,6]-3:C[6,6]-4:C-4:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6]C[5,6]C)(C[6]C[6]HH)2(C[6]O[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]3)(CH3)	C[6](C[6,6]C[6]3)(O[6]C[6])(O)	C[6,6](C[6]C[5,6]C)(C[6]C[6]HH)2(C[6]O[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]3)(CH3){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6]3)(O[6]C[6])(O){2|C<3>,2|C<4>,6|H<1>}	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:4:4:3:	3:4:4:	4:3:1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	106.9210	1.072	2	106.8173	0.607	3	106.8173	0.607	3	106.8173	0.607	3	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:4:4:3:	3:4:4:	4:3:1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	106.6100	0.000	1	106.8173	0.607	3	106.8173	0.607	3	106.8173	0.607	3	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:4:4:3:	4:4:3:	4:3:1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(CHH)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(CHH){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	105.8770	0.000	1	105.8770	0.000	1	105.8770	0.000	1	105.8770	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6,6a]O)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6,6a]O)2(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	108.3600	0.000	2	108.3600	0.000	2	108.3600	0.000	2	108.3600	0.000	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	3:4:1:	4:3:4:	C[3x6]-4:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(CH3)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(H){1|C<4>,1|I<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	109.0560	0.000	1	109.0560	0.000	1	109.0560	0.000	1	109.0560	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	3:4:1:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O)(Cl){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	117.9830	0.000	1	117.9830	0.000	1	117.9830	0.000	1	113.1665	46.397	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	3:4:1:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6,6a]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	108.3500	0.000	1	108.3500	0.000	1	108.3500	0.000	1	113.1665	46.397	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	3:4:1:	4:4:3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]O)(C[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]O)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	108.3960	0.000	1	108.3960	0.000	1	108.3960	0.000	1	108.3960	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	3:4:3:	4:4:3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(CHO){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH){2|C<3>,2|C<4>,2|H<1>}	114.6930	0.000	1	114.6930	0.000	1	115.2780	0.311	3	115.2780	0.311	3	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	3:4:3:	4:4:3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH){2|C<3>,2|C<4>,2|H<1>}	115.5705	0.330	2	115.5705	0.109	2	115.2780	0.311	3	115.2780	0.311	3	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:Br-1:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]I)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(Br)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]I)(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(Br){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	105.7155	1.541	2	105.7155	2.374	2	105.7155	2.374	2	105.7246	7.539	17	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6]C[6]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H)	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6]C[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	102.5742	0.518	6	102.5742	0.268	6	103.4396	5.466	7	105.7246	7.539	17	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]2H)(C[6]C[6]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[5,6]2H)(C[6]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	108.6320	0.000	1	108.6320	0.000	1	103.4396	5.466	7	105.7246	7.539	17	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,4|H<1>}	108.9760	0.778	2	108.9760	0.605	2	108.9760	0.605	2	105.7246	7.539	17	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6a]C)(C[6]N[6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6a]C)(C[6]N[6]O)2(H){3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	106.5720	1.973	2	106.5720	3.892	2	107.3098	2.415	6	105.7246	7.539	17	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	108.2375	1.800	2	108.2375	3.239	2	107.3098	2.415	6	105.7246	7.539	17	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H){2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	107.1200	1.437	2	107.1200	2.065	2	107.3098	2.415	6	105.7246	7.539	17	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:2:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]Cl)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]O)2(H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]Cl)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:B-3:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(BC[6a]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H){1|B<3>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(BC[6a]2){3|C<3>,3|H<1>}	113.9490	0.000	1	113.9490	0.000	1	113.9490	0.000	1	113.9490	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|N<3>}	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]C)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(COO)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]C)2(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CNO){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(COO){1|C<4>,2|C<3>,2|O<2>}	114.9360	0.000	1	114.9360	0.000	1	114.9360	0.000	1	114.9360	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:4:3:	4:2:3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-2:C-3:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CC[5a]O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(C[6]N[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CC[5a]O){1|C<3>,2|H<1>,4|C<4>}	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:4:3:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	111.5755	0.214	2	111.5755	0.046	2	111.5755	0.046	2	111.5755	0.046	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:2:	3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:2:	4:3:1:	4:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]H)(O)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:2:	4:3:1:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[5,6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5])(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:2:	4:3:2:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH){1|C<4>,1|N<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(OH){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	109.9675	0.375	2	110.1202	0.055	5	110.1202	0.055	5	110.1202	0.055	5	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:2:	4:3:2:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(OH){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	110.2220	0.000	3	110.1202	0.055	5	110.1202	0.055	5	110.1202	0.055	5	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:2:	4:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)(OH){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>,3|H<1>}	113.3385	0.736	2	113.3385	0.542	2	113.3385	0.542	2	113.3385	0.542	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:2:	4:4:3:	4:4:2:	C[6,6]-4:C[6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]N)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]N)(CN){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH){1|N<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NN){1|C<3>,3|C<4>,3|H<1>}	112.4800	0.000	1	112.4800	0.000	1	112.4800	0.000	1	112.4800	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[3,6]H)(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[3,6]H)(H)	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[3,6]H)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[3,6]H)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	100.7910	0.474	5	100.7910	0.225	5	101.7395	5.578	6	101.7395	5.578	6	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]2O)(C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6,6a]2O)(C[6a]C[6a]2)(C[6]C[6]H)2{4|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,6|C<3>}	106.4820	0.000	1	106.4820	0.000	1	101.7395	5.578	6	101.7395	5.578	6	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:3:	4:3:3:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(C[6]N[6]O)2	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(NHH)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(C[6]N[6]O)2{1|C<2>,1|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(NHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<1>}	108.2245	1.917	2	108.2245	3.675	2	108.2245	3.675	2	108.2245	3.675	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]O)2(CC[6a]O){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|H<1>,1|O<1>,4|C<4>}	117.9910	0.000	1	117.9910	0.000	1	117.9910	0.000	1	117.9910	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:4:	3:4:1:	4:3:4:	C[6,6]-4:C[6]-3:C[6]-3:S-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]H)(CH3)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]H)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	112.5140	0.783	5	112.5140	0.614	5	112.5140	0.614	5	112.5140	0.614	5	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:4:	4:3:1:	4:3:2:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:4:	4:3:4:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:4:	4:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,3x6]HH)(C[6]C[5,6]H)(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[5,6,6]C[3,5]H)(C[6,6]C[6,6]C[6]C)(O)	C[6](C[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[5,3x6]HH)(C[6]C[5,6]H)(C[6]C[5,6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[3,5]H)(C[6,6]C[6,6]C[6]C)(O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]C)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	106.8505	0.532	2	106.8505	0.284	2	106.8505	0.284	2	106.8505	0.284	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:4:	4:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(O){3|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|O<1>,3|C<4>}	109.6645	1.104	2	109.6645	1.218	2	109.6645	1.218	2	109.6645	1.218	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:4:	4:4:3:	4:2:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]O[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]O[6]O)(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O){1|H<1>,3|C<3>,3|C<4>}	109.4435	0.627	2	109.4435	0.393	2	109.4435	0.393	2	109.4435	0.393	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:4:	4:4:3:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]C)(C[6]C[6]O)(CH3)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]C)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]C)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O){1|H<1>,2|C<3>,2|C<4>}	111.4313	0.799	4	111.4313	0.638	4	111.4313	0.638	4	111.4050	0.482	5	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:4:	4:4:3:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O){1|H<1>,2|C<3>,2|C<4>}	111.3000	0.000	1	111.3000	0.000	1	111.3000	0.000	1	111.4050	0.482	5	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:4:3:	3:4:1:	3:4:1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	N[6]-3:C[6,6]-4:S-1:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(S)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]S){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|N<3>,1|S<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(S){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:4:3:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(O)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	104.9445	0.308	2	104.9445	0.095	2	105.8930	2.097	4	105.8930	2.097	4	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:4:3:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]O){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	106.8415	1.611	2	106.8415	2.597	2	105.8930	2.097	4	105.8930	2.097	4	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:4:3:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(C[6]O[6]HH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(O)	C[6,6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(C[6]O[6]HH)(C[6]C[6]O){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(O){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	107.3250	0.000	1	107.3250	0.000	1	107.3250	0.000	1	107.3250	0.000	1	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2{4|C<4>,4|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	104.3400	0.000	1	104.3400	0.000	1	106.0225	5.662	2	106.0225	5.662	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2{2|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	107.7050	0.000	1	107.7050	0.000	1	106.0225	5.662	2	106.0225	5.662	2	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	106.2630	0.146	2	106.2630	0.021	2	106.0170	0.192	3	106.0170	0.192	3	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]3)(O[6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6]3)(O[6]C[6])(O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	105.5250	0.000	1	105.5250	0.000	1	106.0170	0.192	3	106.0170	0.192	3	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:4:3:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	110.4440	0.709	2	110.7352	0.312	4	110.7352	0.312	4	110.7352	0.312	4	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:4:3:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H){1|Br<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	111.0265	0.308	2	110.7352	0.312	4	110.7352	0.312	4	110.7352	0.312	4	109.1428	15.028	110	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:1:	4:3:4:	4:4:3:	C[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H)	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H){4|H<1>,6|C<4>}	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	113.4030	6.658	5	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	114.6853	1.359	3	114.6853	1.847	3	114.6853	1.847	3	114.6853	1.847	3	113.4030	6.658	5	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,5|C<4>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC){2|H<1>,7|C<3>}	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	113.4030	6.658	5	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6,6]	3:4:3:3:	4:3:4:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:N[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]Al)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]Al){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al){2|C<3>,2|C<4>,6|H<1>}	110.5360	0.000	1	110.2970	0.114	2	110.2970	0.114	2	110.2970	0.114	2	109.8998	0.696	4	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6,6]	3:4:3:3:	4:3:4:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:N[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]Al)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]Al){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al){2|C<3>,3|C<4>,5|H<1>}	110.0580	0.000	1	110.2970	0.114	2	110.2970	0.114	2	110.2970	0.114	2	109.8998	0.696	4	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6,6]	3:4:4:3:	4:3:4:	3:4:3:	C[6,6]-3:C[6]-4:N-4:C[6]-3:	C[6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:N[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]MgH)(C[6]C[6]2)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Mg)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]MgH)(C[6]C[6]2){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Mg){2|C<3>,2|C<4>,6|H<1>}	109.5025	1.159	2	109.5025	1.343	2	109.5025	1.343	2	109.5025	1.343	2	109.8998	0.696	4	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)2	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	114.6990	0.853	2	114.6990	0.727	2	114.6990	0.727	2	114.6990	0.727	2	110.7355	11.592	19	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:2:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]N[6]O)2(OH)	C[6](C[6]C[6]2O)(C[6]N[6]O)2	C[6](C[6]C[6]2O)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)2(OH){1|C<3>,2|C<4>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2O)(C[6]N[6]O)2{1|C<3>,2|C<4>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2O)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	110.2160	0.085	2	110.2160	0.007	2	110.2160	0.007	2	108.5730	8.102	3	110.7355	11.592	19	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:2:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C[6]-2:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|Se<2>,4|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)2{1|C<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H){7|C<3>}	105.2870	0.000	1	105.2870	0.000	1	105.2870	0.000	1	108.5730	8.102	3	110.7355	11.592	19	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-2:	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2{1|Se<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H){1|C<2>,1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(C[6]C[6]){4|H<1>,5|C<3>}	107.1435	1.677	2	107.1435	2.811	2	107.1435	2.811	2	107.1435	2.811	2	110.7355	11.592	19	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	3:4:1:	4:3:3:	N[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]N[6]C)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]N[6]C)(H){1|Fe<5>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6]C)(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	115.6445	2.442	2	115.6445	5.962	2	115.6445	5.962	2	115.6445	5.962	2	110.7355	11.592	19	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	107.7930	0.324	2	107.7930	0.105	2	107.7930	0.105	2	107.7930	0.105	2	110.7355	11.592	19	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]2C)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]2C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	106.6490	0.000	1	106.6490	0.000	1	107.5720	1.704	2	107.5720	1.704	2	110.7355	11.592	19	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]2C)(N[6]C[6]H)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]2C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	108.4950	0.000	1	108.4950	0.000	1	107.5720	1.704	2	107.5720	1.704	2	110.7355	11.592	19	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	3:4:3:	3:4:1:	C[6]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]S[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]S[6]HH)(H){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]C){1|O<1>,2|S<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O){1|S<2>,3|H<1>,4|C<3>}	112.8460	0.000	1	112.8460	0.000	1	112.8460	0.000	1	112.8460	0.000	1	110.7355	11.592	19	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	112.8000	0.000	1	112.8000	0.000	1	112.8000	0.000	1	112.8000	0.000	1	110.7355	11.592	19	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:1:	3:4:3:	4:3:2:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O[6]-2:	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]C[6]2H)(C[6]O[6]H)(O[6]C[6])	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[6]2H)(C[6]O[6]H)(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	109.3100	0.000	1	109.3100	0.000	1	109.3100	0.000	1	109.3100	0.000	1	110.7355	11.592	19	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:1:	4:4:3:	4:4:3:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CHH)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(C[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C){2|H<1>,3|C<4>,6|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	110.7355	11.592	19	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	111.8660	0.000	1	111.8660	0.000	1	111.8660	0.000	1	111.8660	0.000	1	110.7355	11.592	19	109.9024	13.800	176
466	762	762	0:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(C[6]N[6]H){1|Ir<8>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO){1|C<4>,3|C<3>,3|H<1>}	114.1450	0.000	1	114.1450	0.000	1	114.1450	0.000	1	114.1450	0.000	1	110.7355	11.592	19	109.9024	13.800	176
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[3x6]	3:3:3:1:	3:4:2:	3:4:2:	C[3x6]-3:C[3x6]-3:C[3x6]-3:H-1:	C[3x6]-3:C[3x6]-4:C[6]-2:	C[3x6]-3:C[3x6]-4:C[6]-2:	C[3x6](C[3x6]C[3x6]C[6])3(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a])	C[3x6](C[3x6]C[3x6]C[6])3(H){1|C<4>,3|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a]){1|H<1>,1|N<2>,2|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a]){1|H<1>,1|N<2>,2|C<2>,3|C<3>}	106.0490	0.000	1	106.0490	0.000	1	106.0490	0.000	1	106.0490	0.000	1	105.0267	1.354	13	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[3x6]	3:3:3:1:	3:4:3:	3:4:3:	C[3x6]-3:C[3x6]-3:C[3x6]-3:H-1:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6](C[3x6]C[3x6]C[6])3(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O)	C[3x6](C[3x6]C[3x6]C[6])3(H){1|C<4>,3|O<1>,6|C<3>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	103.9650	0.579	4	103.9650	0.335	4	103.9650	0.335	4	103.9650	0.335	4	105.0267	1.354	13	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[3x6]	3:3:3:1:	4:3:2:	4:3:2:	C[3x6]-3:C[3x6]-3:C[6,6]-3:C-1:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(C)	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(C){2|C<3>,4|C<2>}	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	104.5800	0.000	1	104.5800	0.000	1	104.5800	0.000	1	105.2235	0.828	2	105.0267	1.354	13	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[3x6]	3:3:3:1:	4:3:2:	4:3:2:	C[3x6]-3:C[3x6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(Cl)	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(Cl){2|C<3>,4|C<2>}	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	105.8670	0.000	1	105.8670	0.000	1	105.8670	0.000	1	105.2235	0.828	2	105.0267	1.354	13	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[3x6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[3x6]-3:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H)	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H){1|C<4>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,5|C<3>}	106.8490	0.499	2	106.8490	0.249	2	106.8490	0.249	2	106.8490	0.249	2	105.0267	1.354	13	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[3x6]	3:3:3:1:	4:3:4:	4:3:4:	C[3x6]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH){1|C<4>,4|C<3>,4|H<1>}	104.8233	0.758	4	104.8233	0.574	4	104.8233	0.574	4	104.8233	0.574	4	105.0267	1.354	13	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[6,6]	3:3:3:1:	4:3:2:	4:3:3:	C[3x6]-3:C[3x6]-3:C[6,6]-3:C-1:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(C)	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6,6](C[3x6]C[3x6]2C)(C[6,6]C[3x6]C)(COO)	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(C){2|C<3>,4|C<2>}	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	C[6,6](C[3x6]C[3x6]2C)(C[6,6]C[3x6]C)(COO){2|C<2>,2|C<3>}	104.0865	0.438	2	104.0865	0.192	2	104.0865	0.192	2	105.1710	2.049	4	105.4386	1.373	17	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[6,6]	3:3:3:1:	4:3:2:	4:3:3:	C[3x6]-3:C[3x6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(Cl)	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6,6](C[3x6]C[3x6]2Cl)(C[6,6]C[3x6]C)(COO)	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(Cl){2|C<3>,4|C<2>}	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	C[6,6](C[3x6]C[3x6]2Cl)(C[6,6]C[3x6]C)(COO){2|C<2>,2|C<3>}	106.2555	1.118	2	106.2555	1.250	2	106.2555	1.250	2	105.1710	2.049	4	105.4386	1.373	17	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[4x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[4x6]H)(H){5|C<3>}	106.3970	0.000	1	105.9690	0.366	2	105.9690	0.366	2	105.9690	0.366	2	105.4386	1.373	17	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[4x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|N<2>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[4x6]H)(H){5|C<3>}	105.5410	0.000	1	105.9690	0.366	2	105.9690	0.366	2	105.9690	0.366	2	105.4386	1.373	17	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[6,6]	3:3:3:1:	4:3:4:	4:3:1:	C[3x6]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<3>,2|C<4>}	105.7290	0.362	8	105.7290	0.131	8	105.7290	0.131	8	105.7290	0.131	8	105.4386	1.373	17	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[6,6]	3:4:3:1:	4:4:3:	4:3:1:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Br)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){2|Br<1>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Br)(H){2|C<3>,2|C<4>,2|H<1>}	106.2320	0.000	1	106.2320	0.000	1	106.0300	0.082	2	106.0300	0.082	2	105.4386	1.373	17	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[6,6]	3:4:3:1:	4:4:3:	4:3:1:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Cl)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|Cl<1>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Cl)(H){2|C<3>,2|C<4>,2|H<1>}	105.8280	0.000	1	105.8280	0.000	1	106.0300	0.082	2	106.0300	0.082	2	105.4386	1.373	17	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[6,6]	4:3:3:1:	4:3:2:	4:4:1:	C[5,3x6]-4:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:O[6]-2:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H)	C[3x6](C[3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(O[6]C[6])	C[6,6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6]C[3x6]CO)(O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	C[3x6](C[3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(O[6]C[6]){1|C<3>,1|O<1>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6]C[3x6]CO)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	101.9420	0.000	1	101.9420	0.000	1	101.9420	0.000	1	101.9420	0.000	1	105.4386	1.373	17	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[3x6]	C[6]	3:3:4:3:	4:4:3:	4:3:1:	C[6,6a]-3:C[3x6]-3:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[3x6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-3:C-3:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[5,6,6]C[5,3x6]C[5])(COO)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[5,6,6]C[5,3x6]C[5])(COO){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	104.9720	0.000	1	104.9720	0.000	1	104.9720	0.000	1	104.9720	0.000	1	104.9720	0.000	1	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:2:1:	4:3:1:	4:4:1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]OO)(O)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]OO)(O){1|C<3>,1|N<3>,2|H<1>}	107.1510	0.000	1	107.1510	0.000	1	107.1510	0.000	1	107.1510	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:2:1:	4:3:1:	4:4:2:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:N-2:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(NO)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(NO){1|C<3>,1|N<3>,2|H<1>}	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:2:1:	4:3:3:	4:4:1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(O)	C[3x6](C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH){1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(O){3|C<3>,4|C<4>}	105.0650	0.000	1	105.0650	0.000	1	105.0650	0.000	1	105.0650	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:2:1:	4:4:1:	4:3:1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]H)(O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]Cl)(H)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]H)(O){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	107.7920	0.000	1	107.7920	0.000	1	107.7920	0.000	1	107.7920	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:2:2:	4:3:4:	4:3:4:	C[6,6]-3:C[6,6]-3:O[6]-2:O[6]-2:	C[3x6]-4:C[6]-3:C[6]-4:	C[3x6]-4:C[6]-3:C[6]-4:	C[3x6](C[6,6]C[6]2)2(O[6]C[6,6a])2	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[3x6](C[6,6]C[6]2)2(O[6]C[6,6a])2{1|C<4>,4|C<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:2:4:	4:4:1:	4:3:1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:C-4:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO)	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H){1|N<3>,1|O<1>,2|C<4>}	106.1400	0.000	1	106.1400	0.000	1	106.1400	0.000	1	106.1400	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:1:	3:4:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[6,6](C[6,6]C[4x6]C[6a])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[4x6]C[6a])(C[3x6]C[6,6]2H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	109.6790	0.284	2	109.6790	0.081	2	109.6790	0.081	2	109.6790	0.081	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:1:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5x6]C[6])(C[3x6]C[6,6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[5x6]H)(H)	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[5x6]C[6])(C[3x6]C[6,6]2H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[5x6]H)(H){1|H<1>,2|C<3>,2|C<4>}	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	103.2417	5.085	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:1:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|O<1>,2|C<3>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O){1|H<1>,2|C<3>,2|C<4>}	101.2750	0.000	1	101.2750	0.000	1	101.7787	0.197	3	103.2417	5.085	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:1:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O){1|C<4>,2|C<3>,2|H<1>}	102.0305	0.112	2	102.0305	0.013	2	101.7787	0.197	3	103.2417	5.085	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:1:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[4x6]C[6a])(C[3x6]C[6,6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[4x6]C[6a])(C[3x6]C[6,6]2H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O){1|C<4>,2|C<3>,2|H<1>}	103.2795	0.023	2	103.2795	0.001	2	103.2795	0.001	2	103.2417	5.085	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:1:	4:4:3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5x6]C[6])(C[3x6]C[6,6]2H)(H)	C[6,6](C[3x6]C[5x6]O[6]O)(C[3x6]C[6,6]2H)(CCH)	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[5x6]C[6])(C[3x6]C[6,6]2H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5x6]O[6]O)(C[3x6]C[6,6]2H)(CCH){2|C<3>,2|C<4>,2|H<1>}	107.7100	0.000	1	107.7100	0.000	1	107.7100	0.000	1	107.7100	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:3:	3:4:4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C-3:	N[6,6]-3:C[3x6]-4:C-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,4|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|N<3>,4|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<3>,5|C<3>}	113.5710	0.000	1	113.5710	0.000	1	113.5810	0.000	2	113.5810	0.000	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:3:	3:4:4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C-3:	N[6,6]-3:C[3x6]-4:C-4:	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3)	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,2|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3){1|H<1>,1|N<3>,4|C<3>}	113.5910	0.000	1	113.5910	0.000	1	113.5810	0.000	2	113.5810	0.000	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(H)	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,2|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(H){1|C<3>,1|C<4>,2|N<3>}	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[6,6]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]C)(COO)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H){2|P<4>,4|C<3>}	C[6,6](C[6,6]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|Pd<4>,1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]C)(COO){1|Pd<4>,1|C<4>,3|C<3>}	110.4490	0.000	1	110.4490	0.000	1	110.4490	0.000	1	110.4490	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:3:	4:3:4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[6,6]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]P)(CH3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H){2|P<4>,4|C<3>}	C[6,6](C[6,6]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|Pd<4>,1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]P)(CH3){1|Pd<4>,4|C<3>}	107.1840	0.000	1	107.1840	0.000	1	107.1840	0.000	1	107.1840	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:4:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(H)	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,2|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3){1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(H){1|C<3>,1|C<4>,2|N<3>}	107.3820	0.000	1	107.3820	0.000	1	107.3820	0.000	1	107.3820	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:1:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6,6])(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]O)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6,6])(H){1|O<1>,3|C<3>,4|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]O)(O){1|C<4>,1|H<1>,3|C<3>}	101.9710	0.000	1	101.9710	0.000	1	101.9710	0.000	1	105.4883	5.847	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:1:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:Br-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br)(Br)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br)(Br){2|H<1>,3|C<3>}	106.2435	0.040	2	106.2435	0.002	2	106.2435	0.002	2	105.4883	5.847	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:1:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(H){1|B<4>,1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H){1|H<1>,1|N<3>,3|C<3>}	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	105.4883	5.847	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:1:	4:4:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O){2|H<1>,3|C<3>}	106.0230	0.000	1	106.0230	0.000	1	106.0230	0.000	1	105.2752	1.856	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:1:	4:4:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:P[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CW)(O)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,1|P<4>,2|C<3>}	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CW)(O){2|H<1>,3|C<3>}	103.2710	0.000	1	103.2710	0.000	1	103.2710	0.000	1	105.2752	1.856	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:1:	4:4:1:	C[6,6]-3:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	105.9035	0.449	2	105.9035	0.202	2	105.9035	0.202	2	105.2752	1.856	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C-3:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(C[6a]C[6a]2)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|N<3>,4|C<3>}	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	3:4:4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(C[6a]C[6a]2)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<3>,5|C<3>}	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(C[6a]C[6a]2){1|Se<3>,4|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|Se<3>,4|C<3>}	106.4030	0.000	1	106.4030	0.000	1	106.4030	0.000	1	106.8500	1.353	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O){2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	106.1690	0.000	1	106.1690	0.000	1	106.4188	0.487	6	106.8500	1.353	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	107.7640	0.000	1	106.4688	0.590	5	106.4188	0.487	6	106.8500	1.353	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	106.0720	0.484	2	106.4688	0.590	5	106.4188	0.487	6	106.8500	1.353	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	106.2180	0.076	2	106.4688	0.590	5	106.4188	0.487	6	106.8500	1.353	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO){1|C<3>,1|O<1>,1|P<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,1|P<4>,2|C<3>}	109.2730	0.000	1	109.2730	0.000	1	107.2873	3.119	3	106.8500	1.353	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]C)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(H){1|B<4>,1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]C)(COO){1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H){1|H<1>,1|N<3>,3|C<3>}	106.2945	0.569	2	106.2945	0.324	2	107.2873	3.119	3	106.8500	1.353	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)(H)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	108.5720	0.000	1	108.5720	0.000	1	108.5720	0.000	1	106.8500	1.353	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]C)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]P)(CH3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H){2|P<4>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]C)(COO){1|Pd<4>,1|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]P)(CH3){1|Pd<4>,4|C<3>}	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:4:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:P[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CW)(O)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO){1|C<3>,1|O<1>,1|P<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CW)(O){2|H<1>,3|C<3>}	106.3600	0.000	1	106.3600	0.000	1	106.3600	0.000	1	106.7010	0.233	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:4:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O){2|H<1>,3|C<3>}	107.0420	0.000	1	107.0420	0.000	1	107.0420	0.000	1	106.7010	0.233	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:4:	3:4:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CHHO)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CHHO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|O<1>,2|C<3>,5|C<4>}	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:4:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CHHO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CHHO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O){1|H<1>,2|C<3>,2|C<4>}	104.0240	0.000	1	104.0240	0.000	1	104.0240	0.000	1	104.0240	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:4:	4:3:4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<3>,2|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|C<4>,3|C<3>}	109.5110	0.000	1	108.4987	0.410	6	108.4987	0.410	6	108.4987	0.410	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:4:	4:3:4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pd<2>,1|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pd<2>,1|C<4>,3|C<3>}	108.3275	0.135	2	108.4987	0.410	6	108.4987	0.410	6	108.4987	0.410	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:4:	4:3:4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pd<5>,1|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pd<5>,1|C<4>,3|C<3>}	108.0380	0.000	1	108.4987	0.410	6	108.4987	0.410	6	108.4987	0.410	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:4:	4:3:4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pt<2>,1|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pt<2>,1|C<4>,3|C<3>}	108.3940	0.846	2	108.4987	0.410	6	108.4987	0.410	6	108.4987	0.410	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5x6]O[6]O)(C[3x6]C[6,6]2H)(CCH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[5x6]H)(H)	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[5x6]O[6]O)(C[3x6]C[6,6]2H)(CCH){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[5x6]H)(H){1|H<1>,2|C<3>,2|C<4>}	100.7200	0.000	1	100.7200	0.000	1	100.7200	0.000	1	100.7200	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:3:	4:3:1:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|H<1>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|H<1>,7|C<3>}	106.5110	0.000	1	106.4988	0.188	5	106.4988	0.188	5	105.6450	2.637	7	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:3:	4:3:1:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|Fe<8>,1|H<1>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|Fe<8>,1|H<1>,7|C<3>}	106.1210	0.000	1	106.4988	0.188	5	106.4988	0.188	5	105.6450	2.637	7	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:3:	4:3:1:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|H<1>,1|W<6>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|H<1>,1|W<6>,7|C<3>}	106.1470	0.000	1	106.4988	0.188	5	106.4988	0.188	5	105.6450	2.637	7	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:3:	4:3:1:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|Se<1>,1|H<1>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|Se<1>,1|H<1>,7|C<3>}	106.8575	0.479	2	106.4988	0.188	5	106.4988	0.188	5	105.6450	2.637	7	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:3:	4:3:1:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|N<3>,1|O<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|N<3>,1|O<1>,5|C<3>}	103.5105	1.521	2	103.5105	2.313	2	103.5105	2.313	2	105.6450	2.637	7	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:4:	4:3:1:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]B[3x6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]B[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(CH3){1|B<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]B[3x6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]B[3x6]H)(H){1|H<1>,1|N<3>,3|C<3>}	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:4:1:	3:4:1:	3:4:1:	C[6,6]-3:C[6,6]-3:C[6,6]-4:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6]-3:C[3x6]-4:O-1:	C[3x6](C[6,6]N[5,6,6]O)2(C[6,6]C[6,6]HH)(H)	C[6,6](N[5,6,6]C[5,5,3x6]C[5,6a])(C[3x6]C[6,6]2H)(O)	C[6,6](N[5,6,6]C[5,5,3x6]C[5])(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]N[5,6,6]O)2(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>}	C[6,6](N[5,6,6]C[5,5,3x6]C[5,6a])(C[3x6]C[6,6]2H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[5,6,6]C[5,5,3x6]C[5])(C[3x6]C[6,6]2H)(O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	106.3060	0.000	1	106.3060	0.000	1	106.3060	0.000	1	106.3060	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:4:4:	4:4:1:	4:3:2:	C[6,6]-3:C[6,6]-3:C[6]-4:C[6]-4:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6]-3:O[6]-2:	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(O)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)2{2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){2|O<1>,4|H<1>,5|C<4>}	107.4773	1.072	3	107.4773	1.150	3	107.4773	1.150	3	107.4773	1.150	3	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:4:3:1:	4:4:1:	3:4:1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[3x6]-4:O-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(O)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(O){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|O<1>,2|C<4>,3|H<1>}	101.5140	0.745	2	101.5140	0.555	2	101.5140	0.555	2	101.5140	0.555	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:4:3:4:	4:3:3:	3:4:2:	C[6,6]-3:C[6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[3x6]-4:N[6]-2:	C[3x6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6a]H)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]2)(N[6]C[6,6a])	C[3x6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]2)(N[6]C[6,6a]){5|H<1>,7|C<3>}	115.2140	0.000	1	115.2140	0.000	1	115.2140	0.000	1	115.2140	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:4:3:4:	4:3:3:	4:3:3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|C<2>,2|H<1>,6|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<4>,6|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|C<4>,4|C<3>}	112.2770	0.389	2	112.2770	0.151	2	113.1862	0.754	5	113.1862	0.754	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:4:3:4:	4:3:3:	4:3:3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|Fe<7>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,3|C<4>,5|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>}	113.9980	0.000	1	113.7923	0.054	3	113.1862	0.754	5	113.1862	0.754	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:4:3:4:	4:3:3:	4:3:3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){3|H<1>,6|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<4>,6|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,2|C<4>,4|C<3>}	113.6895	0.213	2	113.7923	0.054	3	113.1862	0.754	5	113.1862	0.754	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:4:3:4:	4:4:1:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[3x6]-4:O-1:	C[5,5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH){1|C<3>,6|C<4>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)(O){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	106.7185	0.757	2	106.8163	0.315	3	106.8163	0.315	3	106.6912	0.273	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:4:3:4:	4:4:1:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[3x6]-4:O-1:	C[5,5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH){2|C<3>,5|C<4>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O){1|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)(O){1|C<3>,2|O<1>,3|C<4>,6|H<1>}	107.0120	0.000	1	106.8163	0.315	3	106.8163	0.315	3	106.6912	0.273	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:4:3:4:	4:4:1:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]O)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]O)(CCCH)	C[6,6](C[5,6,6]C[5,4x6]O[5]O)(C[3x6]C[6,6]2C)(O)	C[6,6](C[3x6]C[5,4x6]C[6]C)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,6,6]O)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]O)(CCCH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,4x6]O[5]O)(C[3x6]C[6,6]2C)(O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6]C)(C[3x6]C[6,6]2C)(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	106.3160	0.000	1	106.3160	0.000	1	106.3160	0.000	1	106.6912	0.273	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|N<3>,2|C<3>,3|H<1>}	108.0810	0.000	1	108.0810	0.000	1	108.0810	0.000	1	108.0810	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	3:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-3:I-1:	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[6,6]C[6,6]I)(H)	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(I)	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[6,6]C[6,6]I)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(H){1|H<1>,1|I<1>,2|O<2>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(I){2|C<3>,2|H<1>,2|O<2>}	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	3:4:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-3:Si-4:	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]Si)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(SiC3)	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]Si)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|Si<4>,2|C<3>,2|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(SiC3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	109.0970	0.000	1	109.0970	0.000	1	109.0970	0.000	1	109.0970	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	3:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	102.9580	0.000	1	102.9580	0.000	1	102.9580	0.000	1	103.1605	3.443	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	3:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O){1|C<4>,3|C<3>,3|H<1>}	104.2380	0.000	1	104.2380	0.000	1	104.2380	0.000	1	103.1605	3.443	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	3:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[6,6](C[6,6]C[5,3x6]OO)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,3x6]OO)(C[3x6]C[6,6]2H)(O){1|C<4>,2|C<3>,3|H<1>}	102.7230	2.957	2	102.7230	8.745	2	102.7230	8.745	2	103.1605	3.443	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	3:4:3:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:N-3:	N[6,6]-3:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(NHH)	C[6,6](N[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H){1|C<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(NHH){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6,6](N[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	3:4:4:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]P[3x6]HH)(C[6,6]C[3x6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4x6]N[5,6])(C[3x6]C[6,6]2H)(CCCH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H)	C[3x6](C[6,6]P[3x6]HH)(C[6,6]C[3x6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[3x6]C[4x6]N[5,6])(C[3x6]C[6,6]2H)(CCCH){1|P<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	111.2885	0.022	2	111.2885	0.000	2	111.2885	0.000	2	111.2885	0.000	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:2:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(O[6,6]C[3x6])(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(O[6,6]C[3x6])(O){1|C<3>,2|H<1>,3|C<4>}	106.0660	0.000	1	106.0660	0.000	1	106.0660	0.000	1	106.4045	1.116	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:2:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O){2|C<3>,2|C<4>,2|H<1>}	106.6880	0.000	1	106.6880	0.000	1	106.5258	0.188	4	106.4045	1.116	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:2:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O){1|C<3>,2|H<1>,3|C<4>}	106.2435	0.466	2	106.2435	0.217	2	106.5258	0.188	4	106.4045	1.116	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:2:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	106.9280	0.000	1	106.9280	0.000	1	106.5258	0.188	4	106.4045	1.116	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br)	C[6,6](C[3x6]C[6,6]2Br)(C[6,6]C[4x6]H)(H)	C[6,6](C[3x6]C[6,6]2Br)(O[6,6]C[4x6])(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br){2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2Br)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2Br)(O[6,6]C[4x6])(O){1|H<1>,2|C<3>,3|C<4>}	107.5500	0.000	1	107.5500	0.000	1	107.5500	0.000	1	106.4045	1.116	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[4x6])(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[4x6])(O){1|H<1>,2|C<3>,3|C<4>}	105.2880	0.000	1	105.2880	0.000	1	106.1460	2.194	5	106.4045	1.116	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O){2|C<3>,2|C<4>,2|H<1>}	105.6960	2.466	2	105.6960	6.083	2	106.1460	2.194	5	106.4045	1.116	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6]C[6,6]C[6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O)	C[3x6](C[6,6]C[6,6]C[6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O){2|C<3>,2|C<4>,2|H<1>}	107.0250	0.069	2	107.0250	0.005	2	106.1460	2.194	5	106.4045	1.116	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[5,6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[5,6,6]Cl)(C[6,6]C[6,6]Cl)(Cl)	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[5])(Cl)	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[6,6]C[5,3x6]Cl)(Cl)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[5,6,6]Cl)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[5])(Cl){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[6,6]C[5,3x6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	106.8440	0.129	2	106.8440	0.017	2	106.8440	0.017	2	106.2663	7.270	14	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(O){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	102.9937	1.429	3	102.9937	2.043	3	103.7248	1.668	6	106.2663	7.270	14	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(O){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	104.4560	0.723	3	104.4560	0.523	3	103.7248	1.668	6	106.2663	7.270	14	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|B<4>,1|C<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.7790	0.000	1	110.7790	0.000	1	110.7790	0.000	1	106.2663	7.270	14	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]N[6,6]O)2(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[4x6]H)(O)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[4x6]H)(O)	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]N[6,6]O)2(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[4x6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[4x6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	107.2570	0.409	2	107.2570	0.167	2	107.6245	0.597	4	106.2663	7.270	14	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.7280	0.000	1	107.9920	1.083	2	107.6245	0.597	4	106.2663	7.270	14	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	107.2560	0.000	1	107.9920	1.083	2	107.6245	0.597	4	106.2663	7.270	14	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:3:1:	Si[4,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](Si[4,6,6]Si[4,3x6]Si[4,4]Si[4])(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(H)	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H)	C[3x6](Si[4,6,6]Si[4,3x6]Si[4,4]Si[4])(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|Si<4>,1|Si<5>,1|C<4>,1|H<1>,1|O<2>,3|C<3>,3|N<3>}	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(H){1|Si<5>,2|Si<4>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H){1|Si<5>,2|Si<4>,1|C<3>,2|H<1>}	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	106.2663	7.270	14	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:3:2:	C[4,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-2:	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CC)	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CC){2|C<3>,2|C<4>,2|H<1>}	108.3935	0.647	2	108.3935	0.419	2	108.3935	0.419	2	108.2890	0.197	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:3:2:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-2:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CN)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CN){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.1845	0.357	2	108.1845	0.128	2	108.1845	0.128	2	108.2890	0.197	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CF)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CF)(O){1|C<4>,2|C<3>,3|H<1>}	104.1920	0.000	1	104.1920	0.000	1	107.8575	26.872	2	106.0458	10.166	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	111.5230	0.000	1	111.5230	0.000	1	107.8575	26.872	2	106.0458	10.166	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:4:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]OO)(O)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]OO)(O){2|C<3>,2|C<4>,2|H<1>}	101.6660	0.000	1	101.6660	0.000	1	103.9283	4.082	3	106.0458	10.166	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:4:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	104.5660	0.000	1	104.5660	0.000	1	103.9283	4.082	3	106.0458	10.166	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:4:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]OO)(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]OO)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.5530	0.000	1	105.5530	0.000	1	103.9283	4.082	3	106.0458	10.166	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]OO)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]OO)(O){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	107.4503	2.055	3	107.4503	4.221	3	107.4503	4.221	3	106.0458	10.166	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<4>,1|N<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H){1|C<2>,2|C<3>,3|H<1>}	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	106.0458	10.166	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O){1|C<4>,2|C<3>,3|H<1>}	105.6070	0.000	1	105.6070	0.000	1	103.5805	8.213	2	106.0458	10.166	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]HS)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O)	C[3x6](C[6,6]C[6,6]HS)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(H){1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	101.5540	0.000	1	101.5540	0.000	1	103.5805	8.213	2	106.0458	10.166	11	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:3:	4:3:1:	P[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](P[6,6]C[6,6]CW)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](P[6,6]C[6,6]CW)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|W<6>,3|C<3>}	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:3:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(CC[6a]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:4:	4:3:1:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CCHO)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CCHO){1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O){2|C<3>,4|C<4>}	103.5300	0.000	1	103.5300	0.000	1	103.5300	0.000	1	103.5300	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:4:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	109.8533	1.488	3	109.8533	2.213	3	109.8533	2.213	3	106.8128	18.452	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:4:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[5]-4:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[5])(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[5]C[5]2C)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[5])(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[5]C[5]2C){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	102.4030	0.000	1	102.4030	0.000	1	102.4030	0.000	1	106.8128	18.452	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:4:	4:4:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCCH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCCH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	102.1010	0.000	1	102.1010	0.000	1	102.1010	0.000	1	106.8128	18.452	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	104.2140	0.000	1	104.4900	0.152	2	104.4900	0.152	2	104.0126	0.316	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	104.7660	0.000	1	104.4900	0.152	2	104.4900	0.152	2	104.0126	0.316	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|H<1>,1|O<1>,4|C<4>}	103.5080	0.000	1	103.5080	0.000	1	103.4540	0.006	2	104.0126	0.316	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|O<1>,2|C<4>,3|H<1>}	103.4000	0.000	1	103.4000	0.000	1	103.4540	0.006	2	104.0126	0.316	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(O)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(O){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H){1|O<1>,2|H<1>,3|C<4>}	104.1750	0.000	1	104.1750	0.000	1	104.1750	0.000	1	104.0126	0.316	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:1:	3:4:4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[3x6]-4:O-1:	C[6,6]-3:C[3x6]-4:C-4:	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,5,6,6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(O)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,5,6,6]O)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(O){2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.1840	0.000	1	106.1840	0.000	1	106.1840	0.000	1	106.1840	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:1:	4:3:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,4|C<4>}	102.3650	1.286	4	102.3650	1.655	4	102.3650	1.655	4	102.3650	1.655	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:1:	4:3:2:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:O-2:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[3x6]O)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[3x6]O[6]2)(C[3x6]C[6,6]2Cl)(O)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]H)(OC)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[3x6]O)(C[6,6]C[6,6]O)(Cl){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[3x6]O[6]2)(C[3x6]C[6,6]2Cl)(O){1|O<2>,2|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]H)(OC){1|O<1>,2|C<3>,3|C<4>}	102.1750	0.000	1	102.1750	0.000	1	102.1750	0.000	1	102.1750	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H){2|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H){2|C<4>,7|H<1>}	113.8000	0.000	1	113.8000	0.000	1	113.8000	0.000	1	109.8977	5.690	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(H){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O){2|H<1>,2|O<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O){2|O<1>,3|H<1>,4|C<4>}	108.1160	0.824	2	108.1160	0.680	2	108.1160	0.680	2	109.8977	5.690	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[5,6,6]O)2(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(O)	C[6,6](C[5,6,6]C[5,3x6]N[5]O)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[5,6,6]O)2(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(O){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]N[5]O)(C[3x6]C[6,6]2H)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	109.7847	1.754	3	109.7847	3.077	3	109.7847	3.077	3	109.8977	5.690	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH){1|O<1>,2|C<4>,2|H<1>}	106.0360	1.073	3	106.0360	1.151	3	105.7205	1.166	4	105.7205	1.166	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH){1|O<1>,2|C<4>,2|H<1>}	104.7740	0.000	1	104.7740	0.000	1	105.7205	1.166	4	105.7205	1.166	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHH){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.1700	0.120	2	107.1700	0.014	2	107.1700	0.014	2	107.1700	0.014	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:4:3:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O){1|C<3>,2|H<1>,3|C<4>}	106.4800	0.000	1	106.4800	0.000	1	106.4800	0.000	1	106.4800	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:2:	3:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[3x6]-3:C[3x6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(OC)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2O)(H)	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2O)(O)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2O)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	105.7270	0.000	1	105.7270	0.000	1	105.7270	0.000	1	105.7270	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:2:	4:3:1:	4:2:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C[6,6](C[3x6]C[3x6]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]O)(O[6,6]C[3x6])(O)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]O)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]O)(O[6,6]C[3x6])(O){1|C<3>,2|H<1>,3|C<4>}	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	106.6391	0.252	16	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:2:	4:3:1:	4:2:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(O[6,6]C[3x6])(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(O[6,6]C[3x6])(O){1|C<4>,2|C<3>,3|H<1>}	106.9525	0.217	2	106.9525	0.047	2	106.9525	0.047	2	106.6391	0.252	16	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:2:	4:3:1:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2O)(O[6,6]C[3x6])(O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2O)(O[6,6]C[3x6])(O){1|C<4>,2|C<3>,3|H<1>}	106.0580	1.021	2	106.0580	1.043	2	106.6329	0.270	13	106.6391	0.252	16	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:2:	4:3:1:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2O)(O[6,6]C[3x6])(O)	C[3x6](C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)(H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[3x6]C[6,6]2O)(O[6,6]C[3x6])(O){1|Cl<1>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	106.7375	0.376	11	106.7375	0.141	11	106.6329	0.270	13	106.6391	0.252	16	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:2:	4:3:3:	4:2:2:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-2:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6]-4:N[6,6]-2:O-2:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(CN)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6])(OC)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(CN){1|C<2>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH){1|N<2>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6])(OC){1|C<3>,1|N<3>,4|C<4>}	106.3720	0.180	2	106.3720	0.032	2	106.3720	0.032	2	106.3720	0.032	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:2:	4:4:3:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[6,6]-4:C[3x6]-4:C-3:	C[6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(OSi)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2O)(CHH)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2O)(O)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(OSi){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2O)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2O)(O){2|C<3>,2|C<4>,2|H<1>}	104.8220	0.000	1	104.8220	0.000	1	104.8220	0.000	1	104.8220	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:3:	4:3:1:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(COO)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(O)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(COO){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	105.6700	0.000	1	105.6700	0.000	1	105.6700	0.000	1	107.1353	2.048	7	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:3:	4:3:1:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2N)(O[6,6]C[3x6])(O)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[6,6]2N)(O[6,6]C[3x6])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.3733	0.210	3	108.3733	0.044	3	107.3795	1.956	6	107.1353	2.048	7	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:3:	4:3:1:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2N)(O[6,6]C[3x6])(O)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[6,6]2N)(O[6,6]C[3x6])(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	106.3857	1.372	3	106.3857	1.883	3	107.3795	1.956	6	107.1353	2.048	7	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:3:	4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]2C[6a])(N[6,6]C[3x6]H)(O)	C[6,6](C[3x6]C[6,6]2C[6a])(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(C[6a]C[6a]2){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C[6a])(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C[6a])(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	107.1575	0.599	2	107.1575	0.359	2	107.1575	0.359	2	108.8170	8.441	3	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:3:	4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(NHH)	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2)(H)	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(NHH){1|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2)(H){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2)(H){1|C<3>,1|C<4>,7|H<1>}	112.1360	0.000	1	112.1360	0.000	1	112.1360	0.000	1	108.8170	8.441	3	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:3:	4:3:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O){1|C<4>,3|C<3>,4|H<1>}	107.8075	1.617	2	107.8075	2.615	2	107.8075	2.615	2	107.8075	2.615	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:3:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	112.2790	0.000	1	112.8905	0.748	2	112.6407	0.561	3	112.2734	1.031	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:3:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,2|O<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	113.5020	0.000	1	112.8905	0.748	2	112.6407	0.561	3	112.2734	1.031	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:3:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	112.1410	0.000	1	112.1410	0.000	1	112.6407	0.561	3	112.2734	1.031	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:3:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[4x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CC[6a]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O){2|O<1>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	111.7225	1.411	2	111.7225	1.990	2	111.7225	1.990	2	112.2734	1.031	5	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	3:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(CC3)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(CC3){2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H){1|O<2>,2|C<3>,3|H<1>}	105.8300	0.000	1	105.8300	0.000	1	105.8300	0.000	1	105.8300	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:1:	4:2:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]Br)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(CCHH){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]Br)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:1:	4:2:3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]C)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(CCl2)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]C)(CH3){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(CCl2){1|C<3>,2|C<4>,3|H<1>}	104.5690	0.000	1	104.5690	0.000	1	104.5690	0.000	1	104.5690	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CCHH){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	104.0885	0.391	2	104.0885	0.153	2	104.5570	0.629	4	104.5570	0.629	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	104.3710	0.000	1	105.0255	0.857	2	104.5570	0.629	4	104.5570	0.629	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	105.6800	0.000	1	105.0255	0.857	2	104.5570	0.629	4	104.5570	0.629	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CO)(O)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	104.9700	0.000	1	104.9700	0.000	1	104.9700	0.000	1	104.6158	3.538	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C[6a])(H)	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O)	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CCHH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C[6a])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O){2|C<4>,4|C<3>,4|H<1>}	103.2000	0.000	1	103.2000	0.000	1	103.2000	0.000	1	104.6158	3.538	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	103.5440	0.000	1	103.5440	0.000	1	103.4635	0.013	2	104.6158	3.538	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	103.3830	0.000	1	103.3830	0.000	1	103.4635	0.013	2	104.6158	3.538	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2C)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O){2|C<4>,3|C<3>,4|H<1>}	106.2990	2.688	2	106.2990	7.228	2	106.2990	7.228	2	104.6158	3.538	6	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:2:	4:3:1:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]O)2(CH3)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(OC)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]O)2(CH3){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	99.1813	0.000	1	99.1813	0.000	1	99.1813	0.000	1	99.1813	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:3:	4:3:3:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2)2(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2)2(CH3){4|H<1>,5|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,2|C<4>,4|C<3>}	113.4630	0.000	1	113.4630	0.000	1	113.4630	0.000	1	113.4630	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:O-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H){1|O<1>,2|H<1>,3|C<4>}	101.4480	0.000	1	101.4480	0.000	1	101.4480	0.000	1	101.4480	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:2:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O)	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(O)	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	103.3810	0.000	1	103.7530	0.277	2	103.7530	0.277	2	103.7530	0.277	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:2:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O)	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(O)	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3){3|H<1>,6|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	104.1250	0.000	1	103.7530	0.277	2	103.7530	0.277	2	103.7530	0.277	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH)	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	105.5075	0.610	2	105.5075	0.372	2	105.5075	0.372	2	104.4693	3.806	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	105.2660	0.000	1	105.2660	0.000	1	105.2660	0.000	1	104.4693	3.806	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|O<1>,2|H<1>,3|C<4>}	101.5960	0.000	1	101.5960	0.000	1	101.5960	0.000	1	104.4693	3.806	4	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]C)(CH3)	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]C)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	104.0690	0.000	1	104.0690	0.000	1	104.0690	0.000	1	104.0690	0.000	1	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	110.4750	0.000	1	110.4750	0.000	1	109.5262	3.696	6	108.0619	8.095	9	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,2|O<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){2|O<1>,3|C<4>,3|H<1>}	111.6860	0.000	1	111.6860	0.000	1	109.5262	3.696	6	108.0619	8.095	9	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	107.8420	1.302	2	109.0000	4.871	3	109.5262	3.696	6	108.0619	8.095	9	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){2|O<1>,3|C<4>,3|H<1>}	111.3160	0.000	1	109.0000	4.871	3	109.5262	3.696	6	108.0619	8.095	9	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	107.9960	0.000	1	107.9960	0.000	1	109.5262	3.696	6	108.0619	8.095	9	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[4x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CCHH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O){2|O<1>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	104.1170	1.222	2	104.1170	1.493	2	104.1170	1.493	2	108.0619	8.095	9	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]O)(CCHH)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(O)	C[6,6](C[6,6]C[5,3x6]CC)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]O)(CCHH){1|C<3>,6|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]CC)(C[3x6]C[6,6]2C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	108.0619	8.095	9	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:3:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:C[3x6]-4:C-3:	C[6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(CHH)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(O){2|C<3>,2|C<4>,2|H<1>}	105.2165	1.126	2	105.2165	1.269	2	105.2165	1.269	2	105.2165	1.269	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	6:3:3:1:	4:3:1:	4:3:1:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(H){1|C<4>,5|B<6>,6|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	104.8210	0.000	1	104.9310	0.024	2	104.9310	0.024	2	104.9310	0.024	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	6:3:3:1:	4:3:1:	4:3:1:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(H){1|C<4>,5|B<6>,6|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Si<4>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Si<4>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	105.0410	0.000	1	104.9310	0.024	2	104.9310	0.024	2	104.9310	0.024	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	6:3:3:1:	4:3:1:	4:4:1:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,5|B<6>,7|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|C<6>,1|H<1>,1|O<1>,4|B<6>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	102.4955	1.470	2	102.4955	2.161	2	102.4955	2.161	2	102.4955	2.161	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	6:3:3:4:	4:3:1:	4:3:1:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(CH3)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(CH3){1|C<4>,5|B<6>,6|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	103.8920	0.000	1	103.8920	0.000	1	103.8920	0.000	1	103.5035	0.302	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	6:3:3:4:	4:3:1:	4:3:1:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:Si-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(SiC3)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]Si)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]Si)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(SiC3){1|C<4>,5|B<6>,6|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]Si)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]Si)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	103.1150	0.000	1	103.1150	0.000	1	103.1150	0.000	1	103.5035	0.302	2	106.6427	8.695	237	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6]	3:4:4:3:	4:4:3:	4:3:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H)	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	114.1750	0.000	1	114.0997	0.008	3	114.0997	0.008	3	114.0997	0.008	3	112.2657	13.458	4	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6]	3:4:4:3:	4:4:3:	4:3:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H)	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	114.0620	0.086	2	114.0997	0.008	3	114.0997	0.008	3	114.0997	0.008	3	112.2657	13.458	4	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[3x6]	C[6,6]	C[6]	4:3:3:2:	4:3:3:	3:4:1:	C[6,6]-4:C[6]-3:C[6,6]-3:O[6]-2:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[3x6]-4:O-1:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])(O)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6]){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])(O){2|C<4>,2|H<1>,5|C<3>}	106.7640	0.000	1	106.7640	0.000	1	106.7640	0.000	1	106.7640	0.000	1	112.2657	13.458	4	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	3:3:3:4:	4:3:3:	4:3:1:	C[3x6]-3:P[3x6]-3:C[6,6]-3:C-4:	C[4x6]-4:N[5,6]-3:C[6,6]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[3x6]C[6,6]N[5,6])(P[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(CCCH)	C[3x6](C[4x6]C[6,6]P[3x6]C)(N[5,6]C[5,6]C[5])(C[6,6]C[3x6]C)	C[6,6](C[4x6]C[3x6]P[3x6]C)(C[6,6]C[3x6]H)(H)	C[4x6](C[3x6]C[6,6]N[5,6])(P[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(CCCH){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]P[3x6]C)(N[5,6]C[5,6]C[5])(C[6,6]C[3x6]C){2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[4x6]C[3x6]P[3x6]C)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	111.5025	0.429	2	111.5025	0.184	2	111.5025	0.184	2	111.5025	0.184	2	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	3:3:3:4:	4:4:3:	4:3:1:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.0720	0.000	1	109.0720	0.000	1	108.6455	0.364	2	103.5933	15.616	6	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	3:3:3:4:	4:4:3:	4:3:1:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]Si)(H)	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|Si<4>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]Si)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	108.2190	0.000	1	108.2190	0.000	1	108.6455	0.364	2	103.5933	15.616	6	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	3:3:3:4:	4:4:3:	4:3:1:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6]-4:C[6,6]-3:O-1:	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O)	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O){2|C<3>,2|C<4>,4|H<1>}	100.8870	0.000	1	100.8870	0.000	1	100.8870	0.000	1	103.5933	15.616	6	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	3:3:3:4:	4:4:3:	4:3:1:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6]-4:C[6,6]-3:O-1:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(C[6,6]C[3x6]O)(O)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(C[6,6]C[3x6]O)(O){2|C<4>,3|C<3>,3|H<1>}	100.2820	0.000	1	100.2820	0.000	1	100.2820	0.000	1	103.5933	15.616	6	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	3:3:3:4:	4:4:3:	4:3:1:	C[6,6]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6]-4:C[6,6]-3:O-1:	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O)	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O){2|C<4>,3|C<3>,3|H<1>}	101.5500	0.168	2	101.5500	0.028	2	101.5500	0.028	2	103.5933	15.616	6	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	3:3:3:4:	4:4:3:	4:3:3:	C[6,6]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6]-4:C[6,6]-3:C[6a]-3:	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	109.5795	0.320	2	109.5795	0.103	2	109.5795	0.103	2	109.5795	0.103	2	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	3:3:3:4:	4:4:3:	4:4:1:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6]-4:C[6,6]-4:O-1:	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(O)	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|Si<4>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(O){2|C<3>,2|C<4>,4|H<1>}	100.4980	0.000	1	100.4980	0.000	1	100.4980	0.000	1	100.4980	0.000	1	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	3:3:4:4:	4:3:4:	4:4:1:	C[3x6]-3:C[6,6]-3:C[6,6]-4:C[6]-4:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[4x6]-4:C[5,6,6]-4:O-1:	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6]C[6]HH)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]Br)(C[6]C[6]HH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]2)(O)	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6]C[6]HH){1|Br<1>,2|C<4>,2|O<2>,6|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]Br)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]2)(O){3|C<3>,4|C<4>,4|H<1>}	100.7460	0.000	1	100.7460	0.000	1	100.7460	0.000	1	100.7460	0.000	1	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	3:4:3:4:	4:4:3:	4:4:1:	C[3x6]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[4x6]-4:C[4x6]-4:C[6]-3:	C[4x6]-4:C[4x6]-4:O-1:	C[4x6](C[3x6]C[4x6]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[4x6]O)(C[6]C[6]CH)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(O)	C[4x6](C[3x6]C[4x6]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[4x6]O)(C[6]C[6]CH){4|C<4>,7|H<1>}	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]H){1|O<1>,2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(O){3|C<3>,4|C<4>,5|H<1>}	104.6690	0.000	1	104.6690	0.000	1	104.6690	0.000	1	104.6690	0.000	1	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	4:3:3:1:	4:3:3:	4:3:1:	Si[4,3x6]-4:C[3x6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](Si[4,3x6]Si[4,6,6]Si[4,4]Si[4,6])(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(H)	C[3x6](C[4x6]Si[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[6]N[6]N)	C[6,6](C[4x6]Si[4,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[4x6](Si[4,3x6]Si[4,6,6]Si[4,4]Si[4,6])(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(H){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	C[3x6](C[4x6]Si[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[6]N[6]N){1|Si<5>,2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[4x6]Si[4,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|Si<5>,2|Si<4>,1|H<1>,2|C<3>}	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	4:3:3:1:	4:4:1:	3:4:1:	C[3x6]-4:C[3x6]-3:C[6,6]-3:F-1:	C[4,3x6]-4:C[4x6]-4:O-1:	C[6,6]-3:C[4x6]-4:F-1:	C[4x6](C[3x6]C[4,3x6]HH)(C[3x6]C[4,3x6]O)(C[6,6]C[6,6]F)(F)	C[3x6](C[4,3x6]C[4,3x6]C[4,6]F)(C[4x6]C[3x6]C[6,6]F)(O)	C[6,6](C[6,6]C[4,3x6]C[6a])(C[4x6]C[3x6]2F)(F)	C[4x6](C[3x6]C[4,3x6]HH)(C[3x6]C[4,3x6]O)(C[6,6]C[6,6]F)(F){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[3x6](C[4,3x6]C[4,3x6]C[4,6]F)(C[4x6]C[3x6]C[6,6]F)(O){1|C<3>,1|C<4>,2|F<1>,4|H<1>}	C[6,6](C[6,6]C[4,3x6]C[6a])(C[4x6]C[3x6]2F)(F){1|F<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	104.3650	0.000	1	104.3650	0.000	1	104.3650	0.000	1	104.3650	0.000	1	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	4:3:3:4:	4:4:3:	4:3:1:	C[6,6]-4:C[3x6]-3:C[6,6]-3:C[6]-4:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6]O[6]HH)	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]H)(H)	C[4x6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]H)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	108.0025	0.103	2	108.0025	0.011	2	108.0025	0.011	2	108.0025	0.011	2	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	4:3:3:4:	4:4:3:	4:4:1:	C[6,6]-4:C[3x6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6]-4:C[6,6]-4:O-1:	C[4x6](C[6,6]C[6,6]C[6a]H)(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(O)	C[4x6](C[6,6]C[6,6]C[6a]H)(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(O){2|C<3>,3|C<4>,4|H<1>}	103.8657	0.084	3	103.8657	0.007	3	103.8657	0.007	3	103.8657	0.007	3	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	4:3:4:3:	4:4:3:	4:4:1:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[4x6]-4:C[6,6]-4:O-1:	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6])(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O)	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]O)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(O)	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6])(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]O){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	103.9010	0.000	1	103.9010	0.000	1	103.9010	0.000	1	103.9010	0.000	1	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	4:4:3:3:	4:4:3:	4:4:1:	C[5,6]-4:C[6,6]-4:C[3x6]-3:C[6,6]-3:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[4x6]-4:C[5,6,6]-4:O-1:	C[4x6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)	C[3x6](C[4x6]C[5,6]C[6,6]2)(C[6,6]C[5,3x6]CO)(C[6]C[6]H)	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]O[5]O)(O)	C[4x6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O){2|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[5,6]C[6,6]2)(C[6,6]C[5,3x6]CO)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]O[5]O)(O){3|C<3>,3|H<1>,4|C<4>}	106.2440	0.000	1	106.2440	0.000	1	106.2440	0.000	1	106.2440	0.000	1	105.5544	14.439	22	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6]	4:3:2:3:	4:3:3:	4:3:1:	C[6,6]-4:C[3x6]-3:O[6,6]-2:C[6]-3:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:C[6,6a]-3:O-1:	C[4x6](C[6,6]C[5,6,6]CC)(C[3x6]C[6,6]C[6])(O[6,6]C[5,6,6])(C[6]C[6,6a]O)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[5,3x6]H)(C[6]C[6,6a]O)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[4x6](C[6,6]C[5,6,6]CC)(C[3x6]C[6,6]C[6])(O[6,6]C[5,6,6])(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[5,3x6]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	114.6760	0.208	2	114.6760	0.043	2	114.6760	0.043	2	114.6760	0.043	2	113.4792	4.187	4	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6]	4:3:4:3:	4:4:3:	4:2:1:	C[4x6]-4:C[3x6]-3:C[6]-4:C[6]-3:	C[4x6]-4:C[3x6]-4:C[6]-3:	C[4x6]-4:O[6]-2:O-1:	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]CH)(C[6]O[6]O)	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[6](C[4x6]C[3x6]C[4x6]C[6])(O[6]C[6])(O)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]CH)(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[6](C[4x6]C[3x6]C[4x6]C[6])(O[6]C[6])(O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	112.2825	6.790	2	113.4792	4.187	4	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[3x6]	C[6]	4:3:4:3:	4:4:3:	4:2:1:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6]-3:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[4x6]-4:O[6]-2:O-1:	C[4x6](C[6,6]C[6,6]O[6]H)(C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(C[6]O[6]O)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(O)	C[4x6](C[6,6]C[6,6]O[6]H)(C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(C[6]O[6]O){1|C<3>,2|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,3|O<2>,6|H<1>}	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	114.1250	0.000	1	114.1250	0.000	1	114.1250	0.000	1	112.2825	6.790	2	113.4792	4.187	4	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[4x6]	C[6,6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[4x6])(C[6,6]C[3x6]H)(H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[4x6])(C[6,6]C[3x6]H)(H){1|H<1>,6|C<3>}	105.4645	0.719	2	105.4645	0.517	2	105.4645	0.517	2	105.4645	0.517	2	106.5033	3.496	3	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[4x6]	C[6,6]	4:3:3:4:	4:4:3:	4:3:1:	C[5,6,6]-4:C[4x6]-3:C[6,6]-3:Si[6]-4:	C[4x6]-4:C[3x6]-4:C[3x6]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC)	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2)	C[6,6](C[4x6]C[5,6,6]C[4x6]Si[6])(C[6,6]C[3x6]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2){3|C<3>,6|H<1>,7|C<4>}	C[6,6](C[4x6]C[5,6,6]C[4x6]Si[6])(C[6,6]C[3x6]O)(H){2|C<3>,2|H<1>,5|C<4>}	108.5810	0.000	1	108.5810	0.000	1	108.5810	0.000	1	108.5810	0.000	1	106.5033	3.496	3	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[5x6]	C[6,6]	3:3:3:3:	4:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6a]-3:C[5x6]-3:	C[4x6]-4:C[5x6]-4:C[3x6]-3:	C[4x6]-4:C[5,6,6]-3:C[6a]-3:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6])	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6])	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[5x6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6]){2|Si<4>,2|C<4>,2|H<1>,8|C<3>}	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6]){11|C<3>,1|H<1>,2|C<4>}	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[5x6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,9|C<3>}	102.1870	0.000	1	102.1870	0.000	1	102.1870	0.000	1	102.1870	0.000	1	102.1870	0.000	1	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[6,6]	C[3x6]	4:3:3:2:	4:4:1:	4:3:3:	C[6,6]-4:C[3x6]-3:C[6,6]-3:O[6]-2:	C[4x6]-4:C[5,6,6]-4:O-1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[4x6](C[6,6]C[5,6,6]HH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(O[6]C[6])	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]O[5]C)(O)	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[5,3x6]H)(C[6]O[6]O)	C[4x6](C[6,6]C[5,6,6]HH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(O[6]C[6]){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]O[5]C)(O){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[5,3x6]H)(C[6]O[6]O){1|O<1>,3|C<4>,3|H<1>}	107.0040	0.000	1	107.0040	0.000	1	107.0040	0.000	1	107.0040	0.000	1	107.0040	0.000	1	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6,6]	3:3:3:4:	4:3:1:	4:3:1:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:O-1:	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O)	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O){2|C<3>,2|C<4>,4|H<1>}	102.8400	0.000	1	102.8400	0.000	1	102.8400	0.000	1	102.8400	0.000	1	104.1053	4.147	18	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6,6]	3:3:3:4:	4:3:1:	4:4:1:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]Si)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(O)	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|Si<4>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]Si)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(O){2|C<3>,2|C<4>,4|H<1>}	104.6830	0.000	1	104.6830	0.000	1	104.6830	0.000	1	104.6830	0.000	1	104.1053	4.147	18	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6,6]	3:3:3:4:	4:3:3:	4:3:1:	C[6,6]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-3:C[6a]-3:	C[4x6]-4:C[6,6]-3:O-1:	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O)	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(O){2|C<4>,3|C<3>,3|H<1>}	101.8725	0.422	2	101.8725	0.178	2	101.8725	0.178	2	101.8725	0.178	2	104.1053	4.147	18	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6,6]	3:4:3:4:	4:4:1:	4:3:1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	C[3,6,6]-4:C[4x6]-4:O-1:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[6,6]C[3,6,6]O)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]CH)	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[4x6]C[3x6]C[6,6]C[6])(O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H)	C[4x6](C[6,6]C[3,6,6]O)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[4x6]C[3x6]C[6,6]C[6])(O){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	106.6550	1.226	2	106.6550	1.503	2	106.6550	1.503	2	106.6550	1.503	2	104.1053	4.147	18	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6,6]-4:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3){1|C<3>,2|O<1>,2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(O){3|C<3>,3|C<4>,3|H<1>}	102.2170	0.000	1	101.1625	2.224	2	101.1625	2.224	2	102.5800	7.140	3	104.1053	4.147	18	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6,6]-4:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3){2|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(O){3|C<3>,3|C<4>,3|H<1>}	100.1080	0.000	1	101.1625	2.224	2	101.1625	2.224	2	102.5800	7.140	3	104.1053	4.147	18	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O){1|C<4>,3|C<3>,5|H<1>}	105.4150	0.000	1	105.4150	0.000	1	105.4150	0.000	1	102.5800	7.140	3	104.1053	4.147	18	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:1:	4:4:2:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6,6]-4:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:O-2:	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(OH)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3){2|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(OH){3|C<3>,3|C<4>,3|H<1>}	103.2655	0.332	2	103.2655	0.110	2	103.2655	0.110	2	103.2655	0.110	2	104.1053	4.147	18	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6,6]	4:3:3:4:	4:3:3:	4:2:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-3:C-3:	C[4x6]-4:O[6,6]-2:O-1:	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(CCO)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[3x6])(O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(CCO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[3x6])(O){2|C<4>,3|C<3>,4|H<1>}	102.4940	0.000	1	102.4940	0.000	1	102.4940	0.000	1	102.4940	0.000	1	104.1053	4.147	18	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3,6,6]-4:C[4x6]-4:O-1:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[4x6]C[3x6]C[6,6]C[6])(O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[4x6]C[3x6]C[6,6]C[6])(O){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H){1|O<1>,4|C<4>,4|H<1>}	104.7700	0.000	1	104.7700	0.000	1	104.7700	0.000	1	104.6830	0.468	4	104.1053	4.147	18	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6,6]-4:O-1:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H)	C[4x6](C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|N<3>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(O){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(H){1|O<1>,4|C<4>,4|H<1>}	104.6540	0.835	3	104.6540	0.697	3	104.6540	0.697	3	104.6830	0.468	4	104.1053	4.147	18	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[3x6]-4:O-1:	C[4x6]-4:C[3x6]-4:O-1:	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]O)2(C[6]C[6]HH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O)	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]O)2(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O){2|O<1>,3|H<1>,6|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O){2|O<1>,4|C<4>,5|H<1>}	106.9105	0.230	2	106.9105	0.053	2	106.9105	0.053	2	106.9105	0.053	2	104.1053	4.147	18	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[4x6]	C[6,6]	C[6]	4:3:2:3:	4:4:3:	4:4:1:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-3:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[4x6]-4:C[6]-4:O-1:	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]O)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,5,6]HH)(O)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,7|C<4>}	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,5,6]HH)(O){2|C<3>,6|C<4>}	109.2140	1.040	6	109.2140	1.081	6	109.2140	1.081	6	109.2140	1.081	6	109.2140	1.081	6	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[5x6]	C[3x6]	C[3x6]	4:4:3:3:	4:3:4:	4:4:3:	C[5,6,6]-4:C[6,6]-4:C[3x6]-3:C[3x6]-3:	C[5x6]-4:C[6,6]-3:C[6]-4:	C[5x6]-4:Si[6,6]-4:C[6]-3:	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6])	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]H)(C[6]C[5,6]CH)	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(Si[6,6]C[3x6]CC)(C[6]C[6]H)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6]){1|N<3>,1|O<1>,3|C<3>,5|C<4>,6|H<1>}	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]H)(C[6]C[5,6]CH){1|Si<4>,2|C<4>,4|C<3>,4|H<1>}	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(Si[6,6]C[3x6]CC)(C[6]C[6]H){3|C<3>,3|C<4>,4|H<1>}	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[5x6]	C[3x6]	C[6,6]	4:3:3:4:	4:3:4:	4:3:1:	C[3x6]-4:C[3x6]-3:C[6,6]-3:C[6,6]-4:	C[5x6]-4:C[6,6]-3:C[6]-4:	C[5x6]-4:C[6,6]-3:H-1:	C[5x6](C[3x6]C[6,6]O[6]O)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6,6]C[6]2H)	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(C[6]O[6]HH)	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6,6]C[3x6]H)(H)	C[5x6](C[3x6]C[6,6]O[6]O)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6,6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[3x6]	C[3x6]	3:3:1:1:	4:4:3:	4:4:3:	C[3x6]-3:C[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[6,6]2)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[6,6]2)2(H)2{2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	111.1450	0.000	1	111.1450	0.000	1	111.1450	0.000	1	111.1450	0.000	1	111.1450	0.000	1	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:4:	4:4:3:	4:4:3:	C[6,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	109.2760	0.000	1	109.2760	0.000	1	109.2760	0.000	1	109.2760	0.000	1	111.7934	9.614	8	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:4:1:	4:3:3:	4:4:3:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6,6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.4660	0.000	1	113.4660	0.000	1	113.4660	0.000	1	113.4660	0.000	1	111.7934	9.614	8	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:4:1:	4:3:4:	4:4:1:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,4|C<4>,6|H<1>}	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	111.7934	9.614	8	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:4:1:	4:3:4:	4:4:3:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|S<4>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	115.0635	0.752	2	115.0635	0.565	2	115.0635	0.565	2	115.0635	0.565	2	111.7934	9.614	8	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:4:1:	4:4:1:	4:3:2:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]CC)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,6|C<4>}	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	111.7934	9.614	8	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:4:1:	4:4:3:	4:4:3:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|S<4>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	112.7530	0.000	1	112.7530	0.000	1	112.7530	0.000	1	112.7530	0.000	1	111.7934	9.614	8	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:3:	4:4:3:	C[5,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]Fe)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]Fe)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|Fe<10>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H){1|Fe<10>,2|C<3>,2|C<4>,4|H<1>}	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	111.7934	9.614	8	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:4:	3:4:3:	4:3:1:	C[6,6]-3:C[6]-3:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3){1|O<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|O<1>,3|C<3>}	115.1050	0.232	2	115.1050	0.054	2	115.1050	0.054	2	115.1050	0.054	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:4:	4:3:3:	3:4:1:	C[6]-3:C[6,6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O){1|H<1>,5|C<3>}	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:2:	4:2:3:	4:3:1:	N[6]-3:C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:N[6]-2:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6](N[6]C[6,6a]C)(C[6,6]N[6]2)(C[6]N[6]O)(OC)	C[6,6](C[6,6]C[6]N[6]O)(N[6]C[6,6a])(N[6]C[6]C)	C[6](C[6,6]C[6,6]N[6]O)(N[6]C[6]C)(O)	C[6,6](N[6]C[6,6a]C)(C[6,6]N[6]2)(C[6]N[6]O)(OC){2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]N[6]O)(N[6]C[6,6a])(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:3:	4:3:2:	4:4:1:	C[6,6]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]H)(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	107.0410	0.000	1	107.0410	0.000	1	107.0410	0.000	1	107.0410	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6])(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6])(H){1|N<3>,1|O<1>,4|C<3>}	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	109.7875	0.464	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	109.3060	0.000	1	109.3060	0.000	1	109.3060	0.000	1	109.7875	0.464	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:4:	3:4:3:	4:3:1:	C[5a,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]O)(H)	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]C)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]O)(H){1|N<3>,1|O<1>,3|C<3>}	112.6725	0.503	4	112.6725	0.253	4	112.6725	0.253	4	112.6725	0.253	4	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:4:	4:3:2:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	109.6740	0.070	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:4:	4:3:2:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|H<1>,2|C<3>,2|O<2>}	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	109.6740	0.070	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:B[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(B[6]C[6,6a]C[6a])(C[6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(B[6]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]C)(H){1|B<3>,1|H<1>,3|C<3>}	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:4:	4:4:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>}	111.8140	0.000	1	111.8140	0.000	1	111.8140	0.000	1	111.8140	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:1:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H){6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	106.0290	0.000	1	104.6560	3.770	2	104.6560	3.770	2	104.6560	3.770	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:1:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H){6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	103.2830	0.000	1	104.6560	3.770	2	104.6560	3.770	2	104.6560	3.770	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:3:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[5,6]-3:O-1:	C[6,6](C[6,6]C[6]2)(C[6]N[5,6]O)(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[5,6]C[5,6]C[5])(O)	C[6,6](C[6,6]C[6]2)(C[6]N[5,6]O)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	113.0490	0.000	1	113.0490	0.000	1	113.0490	0.000	1	113.0490	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:4:	3:4:3:	3:4:1:	C[6]-3:C[6,6]-3:C[6]-4:C[6]-4:	C[6]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]3)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]3)(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O){2|C<4>,4|H<1>,5|C<3>}	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:4:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[5,6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2C)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	112.5790	0.000	1	112.5790	0.000	1	111.1473	1.537	3	111.1473	1.537	3	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:4:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[5,6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2C)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	110.4315	0.018	2	110.4315	0.000	2	111.1473	1.537	3	111.1473	1.537	3	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,4|H<1>}	113.5290	0.311	2	113.5290	0.097	2	113.5290	0.097	2	113.5290	0.097	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:1:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[6]2H)(O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]O[6]O)(H){2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[6]2H)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(O){1|O<1>,3|C<4>,3|H<1>}	111.8985	0.298	2	111.8985	0.089	2	111.8985	0.089	2	111.8985	0.089	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6]2H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H){6|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6]2H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	104.0490	0.000	1	104.0490	0.000	1	104.0490	0.000	1	106.7195	14.263	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|O<1>,1|O<2>,4|C<4>}	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	106.7195	14.263	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){2|O<1>,4|C<4>}	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	109.2775	1.386	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:I-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(I)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2I)(O)	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]Si)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(I){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2I)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]Si)(OC){2|O<1>,4|C<4>}	110.1100	0.000	1	110.1100	0.000	1	110.1100	0.000	1	109.2775	1.386	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]O)(H){1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:F-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(F)	C[6,6](C[6]C[6a]2C[6])(C[6,6]C[6]2F)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(F){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]2C[6])(C[6,6]C[6]2F)(C[6]C[6]H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	114.7123	0.099	6	114.7123	0.010	6	114.7123	0.010	6	113.5499	3.403	9	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	112.6010	0.000	1	112.6010	0.000	1	111.6060	1.980	2	113.5499	3.403	9	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	110.6110	0.000	1	110.6110	0.000	1	111.6060	1.980	2	113.5499	3.403	9	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:S[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(S[6]N[5,6]OO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(S[6]N[5,6]OO)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	113.5499	3.403	9	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:3:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){1|C<3>,2|C<4>,4|H<1>}	112.4270	0.000	1	112.4270	0.000	1	112.4270	0.000	1	112.2787	0.635	3	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:3:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHH){1|C<3>,2|C<4>,4|H<1>}	111.4180	0.000	1	111.4180	0.000	1	112.2045	1.237	2	112.2787	0.635	3	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:3:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,4|H<1>}	112.9910	0.000	1	112.9910	0.000	1	112.2045	1.237	2	112.2787	0.635	3	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:1:	4:4:3:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	112.2930	0.481	2	112.2930	0.231	2	112.2930	0.231	2	112.2930	0.231	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:2:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-2:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CC)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CC){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.5945	0.238	2	113.5945	0.057	2	113.5945	0.057	2	113.4523	0.089	3	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:2:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	113.4523	0.089	3	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:2:	4:4:3:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-2:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)(CN)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)(CN){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){2|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	113.7000	0.000	2	113.7000	0.000	2	113.7000	0.000	2	113.7000	0.000	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:3:	3:3:4:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]C[6]H)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6])(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]C[6]H)(COO){1|O<2>,1|S<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C){1|N<3>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6])(H){1|N<3>,2|H<1>,4|C<3>}	110.1480	0.000	1	110.1480	0.000	1	110.1480	0.000	1	110.1480	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:3:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	110.8110	0.216	2	110.8110	0.047	2	110.7185	0.067	4	110.7185	0.067	4	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:3:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	110.6260	0.346	2	110.6260	0.120	2	110.7185	0.067	4	110.7185	0.067	4	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:3:	4:4:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C[6,6](C[6,6]C[6]2C)2(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){2|O<1>,4|C<4>}	108.5350	0.000	2	108.5350	0.000	2	108.5350	0.000	2	108.5350	0.000	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:3:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6a]C[6]2)(C[6]C[6,6a]C[6a])	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6a]C[6]2)(C[6]C[6,6a]C[6a]){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,5|C<3>}	112.3190	0.000	1	112.3190	0.000	1	112.3190	0.000	1	112.3190	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	3:3:4:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){2|H<1>,4|C<3>}	112.3727	0.308	3	112.3727	0.095	3	111.2382	5.326	6	111.2382	5.326	6	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	3:3:4:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){2|H<1>,4|C<3>}	113.5390	0.000	1	113.5390	0.000	1	111.2382	5.326	6	111.2382	5.326	6	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	3:3:4:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	107.6730	0.000	1	108.3860	1.017	2	111.2382	5.326	6	111.2382	5.326	6	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	3:3:4:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	109.0990	0.000	1	108.3860	1.017	2	111.2382	5.326	6	111.2382	5.326	6	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	3:4:2:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]Si[6]HH)(C[6]N[6]O)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]Si[6]HH)(C[6]N[6]O)(CH3){2|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]){1|Si<4>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|Si<4>,1|N<2>,2|C<3>,2|H<1>}	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	3:4:4:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH){2|O<1>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	111.6490	0.000	1	111.6490	0.000	1	111.6490	0.000	1	111.6490	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:3:2:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	111.3170	0.000	1	111.3170	0.000	1	109.5665	6.129	2	109.5665	6.129	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:3:2:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	107.8160	0.000	1	107.8160	0.000	1	109.5665	6.129	2	109.5665	6.129	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.0632	0.161	4	112.0632	0.026	4	112.0632	0.026	4	112.0632	0.026	4	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[3x6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]C)(O)	C[6,6](C[6,6]C[3x6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	109.1560	0.949	3	109.1560	0.900	3	109.1560	0.900	3	109.5371	1.342	8	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)2(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,4|C<4>}	110.8330	0.102	2	110.1260	1.505	3	109.7658	1.725	5	109.5371	1.342	8	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)2(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){2|O<1>,4|C<4>}	108.7120	0.000	1	110.1260	1.505	3	109.7658	1.725	5	109.5371	1.342	8	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	110.4330	0.000	1	110.4330	0.000	1	109.7658	1.725	5	109.5371	1.342	8	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2I)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Si)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|Si<4>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2I)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Si)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	108.0180	0.000	1	108.0180	0.000	1	109.7658	1.725	5	109.5371	1.342	8	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)2(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|O<1>,4|C<4>}	107.7745	0.791	2	107.7745	0.626	2	108.5909	1.837	7	108.5909	1.837	7	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){2|C<4>,2|H<1>,2|O<1>}	108.1030	0.000	1	108.1030	0.000	1	108.5909	1.837	7	108.5909	1.837	7	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)2(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){2|C<4>,2|H<1>,2|O<1>}	106.9690	0.000	1	106.9690	0.000	1	108.5909	1.837	7	108.5909	1.837	7	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)2(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|C<4>,2|H<1>,2|O<1>}	109.9355	1.213	2	109.9355	1.471	2	108.5909	1.837	7	108.5909	1.837	7	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|Cl<1>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	109.6440	0.000	1	109.6440	0.000	1	108.5909	1.837	7	108.5909	1.837	7	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<4>,4|H<1>}	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	111.1725	1.184	4	111.9249	1.098	9	111.9249	1.098	9	111.8594	0.856	17	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.5268	0.354	5	111.9249	1.098	9	111.9249	1.098	9	111.8594	0.856	17	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.3957	0.257	4	112.3957	0.066	4	111.7857	0.690	8	111.8594	0.856	17	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,3|C<4>,3|H<1>}	110.0730	0.000	1	111.0370	0.712	3	111.7857	0.690	8	111.8594	0.856	17	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.5190	0.174	2	111.0370	0.712	3	111.7857	0.690	8	111.8594	0.856	17	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.5920	0.000	1	111.5920	0.000	1	111.7857	0.690	8	111.8594	0.856	17	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6])(OC)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6])(OC){2|C<3>,3|C<4>,4|H<1>}	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	115.3040	0.091	2	115.3040	0.008	2	115.3040	0.008	2	115.3040	0.008	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	109.7950	0.000	1	109.7950	0.000	1	109.9965	0.081	2	109.9965	0.081	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:3:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	110.1980	0.000	1	110.1980	0.000	1	109.9965	0.081	2	109.9965	0.081	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:1:	4:3:4:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	112.2195	1.672	2	112.2195	2.797	2	112.2195	2.797	2	112.2195	2.797	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:1:	4:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O)(C[6]C[6]O)(H){3|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|N<3>}	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCH){3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	110.3962	0.993	8	110.3962	0.986	8	110.3962	0.986	8	110.3962	0.986	8	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:1:	4:4:3:	4:3:2:	C[5,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(OC)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(OC){2|C<4>,3|H<1>,4|C<3>}	112.6160	0.981	2	112.6160	0.963	2	112.6160	0.963	2	111.2204	2.080	5	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:1:	4:4:3:	4:3:2:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC){1|Br<1>,2|C<3>,4|C<4>}	109.5700	0.000	1	109.5700	0.000	1	110.2900	0.432	3	111.2204	2.080	5	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:1:	4:4:3:	4:3:2:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC){1|H<1>,2|C<3>,4|C<4>}	110.6500	0.296	2	110.6500	0.087	2	110.2900	0.432	3	111.2204	2.080	5	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:2:	4:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]H)(O)	C[6](C[6,6]C[6,6]2O)(C[6]O[6]C)(H)	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]H)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]2O)(C[6]O[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	104.3330	0.000	1	104.3330	0.000	1	106.2530	2.885	3	106.2530	2.885	3	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:2:	4:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(O)	C[6](C[6,6]C[6,6]2O)(C[6]O[6]H)(H)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]2O)(C[6]O[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.2130	0.491	2	107.2130	0.241	2	106.2530	2.885	3	106.2530	2.885	3	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:2:	4:4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:N-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN)	C[6,6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6,6]C[6,6]2N)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN){1|C<3>,2|N<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2N)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	114.3490	0.000	1	114.3490	0.000	1	114.3490	0.000	1	113.4335	1.676	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:2:	4:4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(OH){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.5180	0.000	1	112.5180	0.000	1	112.5180	0.000	1	113.4335	1.676	2	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:2:	4:4:3:	4:4:1:	C[3,6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(O)	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(O){2|C<3>,5|C<4>}	111.5590	0.000	1	111.5590	0.000	1	111.5590	0.000	1	111.5590	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:3:	4:4:3:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-3:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C)(C[6]C[6]O)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(CHH)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C)(C[6]C[6]O)(COO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(CHH){2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,4|C<4>}	110.0350	0.349	3	110.0350	0.122	3	110.0350	0.122	3	110.0350	0.122	3	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:2:3:	4:3:1:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-2:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH)	C[6,6](C[6,6]C[6]2C)(N[6]C[6,6a])(N[6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH){2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2C)(N[6]C[6,6a])(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	115.8050	0.000	1	115.8050	0.000	1	115.8050	0.000	1	115.8050	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:3:2:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:O[6]-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]O[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]O[6]H)(CH3){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:3:3:	3:4:1:	C[6,6]-4:C[6]-3:C[6,6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O){2|C<4>,2|H<1>,4|C<3>}	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:3:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>}	111.5620	0.000	1	111.5620	0.000	1	111.5952	0.975	4	111.5602	2.398	6	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:3:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.9410	0.000	1	111.9410	0.000	1	111.5952	0.975	4	111.5602	2.398	6	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:3:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	110.2650	0.000	1	110.2650	0.000	1	111.5952	0.975	4	111.5602	2.398	6	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:3:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	112.6130	0.000	1	112.6130	0.000	1	111.5952	0.975	4	111.5602	2.398	6	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:3:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]N)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]N){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	113.6170	0.000	1	113.6170	0.000	1	113.6170	0.000	1	111.5602	2.398	6	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:3:3:	4:3:1:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	109.3630	0.000	1	109.3630	0.000	1	109.3630	0.000	1	111.5602	2.398	6	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:4:3:	4:3:1:	C[3,6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	112.3100	0.057	2	112.3100	0.003	2	112.3100	0.003	2	111.7264	2.522	49	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]H)(H){1|C<3>,6|C<4>}	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	111.7264	2.522	49	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<1>,3|C<4>}	112.7635	0.084	2	112.7635	0.007	2	111.7413	2.598	46	111.7264	2.522	49	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Br)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Br)(H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	112.9730	0.081	2	112.9730	0.006	2	111.7413	2.598	46	111.7264	2.522	49	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	112.7933	0.440	4	112.7933	0.193	4	111.7413	2.598	46	111.7264	2.522	49	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>}	111.9750	0.086	2	112.3082	0.077	10	111.7413	2.598	46	111.7264	2.522	49	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|F<1>,1|O<1>,3|C<4>}	112.3915	0.241	8	112.3082	0.077	10	111.7413	2.598	46	111.7264	2.522	49	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	106.7755	0.695	2	106.5837	0.352	3	111.7413	2.598	46	111.7264	2.522	49	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	106.2000	0.000	1	106.5837	0.352	3	111.7413	2.598	46	111.7264	2.522	49	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	112.0665	0.323	2	111.7848	0.930	25	111.7413	2.598	46	111.7264	2.522	49	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.7858	0.727	9	111.7848	0.930	25	111.7413	2.598	46	111.7264	2.522	49	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.7439	1.171	14	111.7848	0.930	25	111.7413	2.598	46	111.7264	2.522	49	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:4:	4:4:3:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|O<1>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(O){1|C<3>,2|H<1>,4|C<4>}	106.2260	0.000	1	106.2260	0.000	1	106.2260	0.000	1	106.2260	0.000	1	111.2181	4.708	194	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:1:	4:3:1:	4:4:1:	C[6,6]-3:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[3,6,6]O)(C[6]C[6]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H)	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[3,6,6]O)(C[6]C[6]H)2(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(O){4|C<3>,4|H<1>}	109.0790	1.044	2	109.0790	1.089	2	109.0790	1.089	2	109.0790	1.089	2	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:3:	4:3:1:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]H)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]H)(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:3:	4:3:1:	4:4:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:N-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(O){3|C<3>,5|H<1>}	106.2340	0.000	1	106.2340	0.000	1	106.2340	0.000	1	106.2340	0.000	1	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:1:	3:4:3:	4:4:1:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(O){2|H<1>,3|C<3>,3|C<4>}	106.0480	0.000	1	106.0480	0.000	1	106.0480	0.000	1	106.0480	0.000	1	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:1:	4:3:3:	4:4:1:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2H)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6]2H)2(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	110.7865	0.094	2	110.7865	0.009	2	110.7865	0.009	2	110.7865	0.009	2	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:3:	4:3:3:	4:4:2:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6]-4:N[6]-2:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:3:	4:4:1:	4:4:1:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[5,6]-4:O-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]CC)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]CC)(CC[6a]O){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,3|H<1>,7|C<4>}	C[6,6](C[6,6]C[6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	112.1683	0.336	3	112.1683	0.113	3	112.1683	0.113	3	112.1683	0.113	3	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:4:	4:3:1:	4:4:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:4:	4:3:3:	4:4:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<4>,2|C<3>,6|H<1>}	106.2830	0.000	1	106.2830	0.000	1	106.2830	0.000	1	106.2830	0.000	1	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:4:	4:4:1:	4:4:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:O-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	109.7413	5.846	3	109.7413	34.176	3	109.7413	34.176	3	109.7413	34.176	3	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:1:	4:3:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:S[6]-2:	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(S[6]C[6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	111.7800	0.000	1	111.7800	0.000	1	111.7800	0.000	1	111.7800	0.000	1	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:1:	4:3:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)2(H)	C[6,6](C[6,6]C[6,6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	109.9283	0.017	3	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:1:	4:3:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2H)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)2(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	109.9635	0.163	2	109.9635	0.027	2	109.9635	0.027	2	109.9283	0.017	3	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:1:	4:3:4:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(O){2|C<3>,2|C<4>,5|H<1>}	108.4040	0.000	1	108.4040	0.000	1	108.4040	0.000	1	108.4040	0.000	1	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:1:	4:4:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){2|C<4>,2|O<1>,4|H<1>}	109.4240	0.215	2	109.4240	0.046	2	109.4240	0.046	2	109.4240	0.046	2	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:1:	4:4:3:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]F)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]F){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	109.4592	0.207	4	109.4592	0.043	4	109.5296	0.057	5	109.5296	0.057	5	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:1:	4:4:3:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]N)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]N){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	109.8110	0.000	1	109.8110	0.000	1	109.5296	0.057	5	109.5296	0.057	5	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:2:	4:3:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	113.6000	0.000	1	113.6000	0.000	1	113.6000	0.000	1	113.6000	0.000	1	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:3:	4:3:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	113.5050	0.000	1	113.5050	0.000	1	113.5050	0.000	1	113.5050	0.000	1	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:3:	4:4:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	113.2820	0.000	1	113.2820	0.000	1	113.2820	0.000	1	113.2820	0.000	1	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:3:	4:4:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6]2C)2(CHH)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)(COO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)2(CHH){2|H<1>,2|O<1>,4|C<4>}	109.9595	0.142	2	109.9595	0.020	2	109.9595	0.020	2	109.9595	0.020	2	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:4:	4:3:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,2|C<4>,6|H<1>}	107.7160	0.000	1	107.7160	0.000	1	107.5425	0.060	2	109.8165	3.521	8	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:4:	4:3:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|C<4>,7|H<1>}	107.3690	0.000	1	107.3690	0.000	1	107.5425	0.060	2	109.8165	3.521	8	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:4:	4:3:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	110.1845	1.692	4	110.5745	2.160	6	110.5745	2.160	6	109.8165	3.521	8	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:4:	4:3:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	111.7900	0.000	1	110.5745	2.160	6	110.5745	2.160	6	109.8165	3.521	8	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:4:	4:3:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	110.9190	0.000	1	110.5745	2.160	6	110.5745	2.160	6	109.8165	3.521	8	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:4:	4:3:4:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(CCHH){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:4:	4:4:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){2|C<4>,2|O<1>,4|H<1>}	110.2705	0.040	2	110.2705	0.002	2	109.5080	0.717	5	109.5080	0.717	5	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:4:	4:4:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|O<1>,3|C<4>,5|H<1>}	109.3655	0.353	2	109.3655	0.125	2	109.5080	0.717	5	109.5080	0.717	5	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:4:	4:4:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]N[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]N[6]HH)(C[6]C[6]O)(CH3){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	108.2680	0.000	1	108.2680	0.000	1	109.5080	0.717	5	109.5080	0.717	5	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:4:	4:4:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(CHH)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(CHH){2|H<1>,2|O<1>,4|C<4>}	111.9187	1.020	3	111.9187	1.041	3	111.9460	0.531	5	111.9460	0.531	5	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:4:	4:4:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6]2C)2(CHH)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)2(CHH){2|H<1>,2|O<1>,4|C<4>}	111.9870	0.187	2	111.9870	0.035	2	111.9460	0.531	5	111.9460	0.531	5	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	4:3:3:1:	4:3:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(O)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(O){1|O<2>,3|C<3>,3|H<1>}	104.2080	0.000	1	104.2080	0.000	1	104.2080	0.000	1	106.6895	12.316	2	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	4:3:3:1:	4:3:1:	4:4:1:	C[6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2H)2(H)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	109.1710	0.000	1	109.1710	0.000	1	109.1710	0.000	1	106.6895	12.316	2	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6,6]	4:3:3:2:	3:4:1:	4:3:3:	C[6]-4:C[6]-3:C[6,6]-3:C-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]CC)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)2	C[6,6](C[6]C[6,6a]CC)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CN){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)2{1|O<1>,2|C<4>,4|C<3>}	113.2890	0.000	1	113.2890	0.000	1	113.2890	0.000	1	113.2890	0.000	1	110.0898	5.158	55	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	2:3:3:2:	4:3:3:	4:3:1:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6])	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]Cl)(O)	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]Cl)(O){1|O<2>,4|C<3>}	114.5615	0.523	2	114.5615	0.273	2	114.4417	0.180	3	114.4417	0.180	3	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	2:3:3:2:	4:3:3:	4:3:1:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6])	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(O)	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(O){1|O<2>,4|C<3>}	114.2020	0.000	1	114.2020	0.000	1	114.4417	0.180	3	114.4417	0.180	3	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	2:4:3:3:	4:3:1:	4:3:1:	S[6]-2:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](S[6]C[6,6a])(C[6]O[6]CC)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]S)(O)	C[6,6](S[6]C[6,6a])(C[6]O[6]CC)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>}	C[6](C[6,6]C[6]2S[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6]C[6]2S[6])(C[6]C[6]S)(O){1|O<2>,2|H<1>,4|C<3>}	114.2350	0.000	1	114.2350	0.000	1	114.2350	0.000	1	114.2350	0.000	1	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6]-3:N[6]-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6])	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	112.7610	0.000	1	112.7610	0.000	1	112.7610	0.000	1	113.6403	0.646	3	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6]H)2(C[6]N[6]O)(O[6]C[6])	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6]H)2(C[6]N[6]O)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	114.0800	0.363	2	114.0800	0.132	2	114.0800	0.132	2	113.6403	0.646	3	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:3:	3:4:1:	3:4:1:	N[6]-3:N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](N[6]C[6a]C[6])2(C[6]C[6,6a]O)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]N[6]2)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]N[6]2)(O)	C[6,6](N[6]C[6a]C[6])2(C[6]C[6,6a]O)2{1|C<4>,2|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]N[6]2)(O){1|H<1>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]N[6]2)(O){1|H<1>,1|O<1>,7|C<3>}	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:3:	3:4:1:	4:3:1:	C[6]-3:N[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)2(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(O)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]H)(H)	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)2(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(O){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]H)(H){1|O<1>,2|H<1>,4|C<3>}	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:3:	3:4:2:	4:3:1:	C[6]-3:N[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:N-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]N)(N[6]C[6,6a]H)2(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(NH)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]H)(H)	C[6,6](C[6]C[6,6a]N)(N[6]C[6,6a]H)2(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(NH){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]H)(H){1|N<2>,2|H<1>,4|C<3>}	113.6050	0.000	1	113.6050	0.000	1	113.6050	0.000	1	113.6050	0.000	1	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[6,6a]-3:N[5a,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2	C[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2{1|N<2>,3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	112.7835	0.202	2	112.7835	0.041	2	112.7835	0.041	2	112.7835	0.041	2	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:P[6]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]P[6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,6|C<4>}	C[6](C[6,6]C[6,6a]C[6]P[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:4:2:3:	4:3:1:	3:4:1:	C[6]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]Br)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){1|C<4>,4|C<3>,4|H<1>}	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:4:3:3:	4:3:1:	4:3:1:	C[5a,6]-3:C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5a,6]C[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[5a,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[5a,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5a,6]C[6]2)(C[6]C[6]H)2{1|S<2>,2|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6]C[5a,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6]C[5a,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,6|C<3>}	112.6650	0.120	2	112.6650	0.014	2	112.6650	0.014	2	112.7482	0.097	4	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:4:3:3:	4:3:1:	4:3:1:	C[6,6a]-3:C[5,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>,3|O<2>}	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	113.1850	0.000	1	113.1850	0.000	1	113.1850	0.000	1	112.7482	0.097	4	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	3:4:3:3:	4:3:1:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2{2|H<1>,3|O<2>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.4780	0.000	1	112.4780	0.000	1	112.4780	0.000	1	112.7482	0.097	4	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]O)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]O)2(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	106.0740	2.171	2	106.0740	4.712	2	106.0740	4.712	2	106.0180	2.366	3	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6]CC)(C[6]N[6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]CC)(C[6]N[6]O)2(H){2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	105.9060	0.000	1	105.9060	0.000	1	105.9060	0.000	1	106.0180	2.366	3	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:2:	4:2:1:	4:2:1:	C[6]-4:C[6]-3:C[6]-3:S[6]-2:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6]C[6]CH)(C[6]O[6]O)2(S[6]C[6])	C[6](C[6,6]C[6]2S[6])(O[6]C[6])(O)	C[6](C[6,6]C[6]2S[6])(O[6]C[6])(O)	C[6,6](C[6]C[6]CH)(C[6]O[6]O)2(S[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6]2S[6])(O[6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6]2S[6])(O[6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	112.3960	0.000	1	112.3960	0.000	1	112.0680	0.215	2	112.0680	0.215	2	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:2:	4:2:1:	4:2:1:	C[6]-4:C[6]-3:C[6]-3:S[6]-2:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6]C[6]HH)(C[6]O[6]O)2(S[6]C[6])	C[6](C[6,6]C[6]2S[6])(O[6]C[6])(O)	C[6](C[6,6]C[6]2S[6])(O[6]C[6])(O)	C[6,6](C[6]C[6]HH)(C[6]O[6]O)2(S[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6]2S[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6]2S[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	111.7400	0.000	1	111.7400	0.000	1	112.0680	0.215	2	112.0680	0.215	2	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(C[6]N[6]O)2	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(C[6]N[6]O)2{1|C<2>,1|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<1>}	114.7110	0.000	1	114.7110	0.000	1	114.7110	0.000	1	114.7110	0.000	1	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	3:4:1:	4:2:1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6,6a]O)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(O)	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6,6a])(O)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6,6a]O)(C[6]O[6]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	114.5480	0.774	2	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	3:4:1:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6,6a]O)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6,6a])(O)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6,6a]O)(C[6]O[6]O){1|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O){1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6,6a])(O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	113.9260	0.000	1	113.9260	0.000	1	113.9260	0.000	1	114.5480	0.774	2	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(C[6]O[6]O)2	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6])(O)	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6])(O)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(C[6]O[6]O)2{1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6])(O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6])(O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	114.1207	0.006	3	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:2:1:	4:2:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6]C[6a]C[6]H)2(C[6]O[6]O)2	C[6](C[6,6]C[6]3)(O[6]C[6])(O)	C[6](C[6,6]C[6]3)(O[6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)2(C[6]O[6]O)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6]3)(O[6]C[6])(O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(O[6]C[6])(O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	114.0350	0.000	1	114.0995	0.008	2	114.0995	0.008	2	114.1207	0.006	3	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:2:1:	4:2:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6]C[6a]C[6]H)2(C[6]O[6]O)2	C[6](C[6,6]C[6]3)(O[6]C[6])(O)	C[6](C[6,6]C[6]3)(O[6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)2(C[6]O[6]O)2{2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6]3)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6]3)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	114.1640	0.000	1	114.0995	0.008	2	114.0995	0.008	2	114.1207	0.006	3	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:2:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6]C[6a]C[6]H)2(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(O)	C[6](C[6,6]C[6]3)(O[6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)2(C[6]C[6]O)(C[6]O[6]O){5|H<1>,6|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(O[6]C[6])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	114.1150	0.000	1	114.1150	0.000	1	114.1150	0.000	1	114.1150	0.000	1	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[5,6]H)(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6]2)(C[5,6]C[5,6]O[5])(H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[5,6]H)(O)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[5,6]H)(C[6]C[6]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6]2)(C[5,6]C[5,6]O[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[5,6]H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	115.0010	0.000	1	115.0010	0.000	1	115.0010	0.000	1	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6]H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]C)(H)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6]H)2{2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]O)(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(O){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	113.4400	0.000	1	113.4400	0.000	1	113.4400	0.000	1	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]H)(O)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	113.2510	0.000	1	113.2510	0.000	1	113.2510	0.000	1	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]H)2	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	110.9130	0.000	1	110.9130	0.000	1	111.6907	0.501	6	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)2	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	111.2240	0.700	2	111.2240	0.490	2	111.6907	0.501	6	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(C[6]C[6]H)2	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(C[6]C[6]H)2{1|Br<1>,1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	112.2470	0.000	2	112.2470	0.000	2	111.6907	0.501	6	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6a]C[6]H)2(C[6]C[6]H)2	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)2(C[6]C[6]H)2{1|S<4>,4|C<4>,6|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	112.2890	0.000	1	112.2890	0.000	1	111.6907	0.501	6	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(C[6]N[6]O)2	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(C[6]N[6]O)2{1|H<1>,2|C<4>,7|C<3>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	114.8095	0.223	2	114.8095	0.050	2	114.1507	0.142	12	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)2	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)2{2|C<4>,4|C<3>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	113.7740	0.000	1	113.7740	0.000	1	114.1507	0.142	12	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2{2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	113.8090	0.000	1	113.8090	0.000	1	114.1507	0.142	12	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]O)2	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]O)2{1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	114.1520	0.000	1	114.1520	0.000	1	114.1507	0.142	12	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)2(C[6]N[6]O)2	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6a]C[6]H)2(C[6]N[6]O)2{2|C<4>,4|H<1>,6|C<3>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	114.0330	0.025	2	114.0330	0.001	2	114.1507	0.142	12	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[6]N[6]O)2	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[6]N[6]O)2{1|S<4>,2|C<4>,5|C<3>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	113.6730	0.000	1	113.6730	0.000	1	114.1507	0.142	12	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6a]N[6]H)2(C[6]N[6]O)2	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6,6](C[6]C[6a]N[6]H)2(C[6]N[6]O)2{3|H<1>,6|C<3>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	114.1570	0.000	1	114.1570	0.000	1	114.1507	0.142	12	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)2	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	114.1860	0.250	3	114.1860	0.062	3	114.1507	0.142	12	113.3713	1.509	22	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:2:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	111.8990	0.000	1	111.6440	0.130	2	111.6440	0.130	2	111.6440	0.130	2	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:2:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	111.3890	0.000	1	111.6440	0.130	2	111.6440	0.130	2	111.6440	0.130	2	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:4:1:	4:4:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	107.0310	0.000	1	109.0556	2.662	5	108.8364	2.177	7	108.8364	2.177	7	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:4:1:	4:4:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	109.1665	2.205	2	109.0556	2.662	5	108.8364	2.177	7	108.8364	2.177	7	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:4:1:	4:4:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	109.9570	0.185	2	109.0556	2.662	5	108.8364	2.177	7	108.8364	2.177	7	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:4:1:	4:4:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	107.4010	0.000	1	108.2885	1.575	2	108.8364	2.177	7	108.8364	2.177	7	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6,6]	C[6]	C[6]	4:4:3:3:	4:4:1:	4:4:1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	109.1760	0.000	1	108.2885	1.575	2	108.8364	2.177	7	108.8364	2.177	7	112.4562	5.602	61	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(H)2{1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	111.7985	0.419	2	111.7985	0.176	2	111.3753	0.625	3	112.5562	2.220	6	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(H)2{1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	110.5290	0.000	1	110.5290	0.000	1	111.3753	0.625	3	112.5562	2.220	6	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]N[6,6]C[6])2(H)2	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(H)2{1|Ga<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	113.7920	0.000	1	114.1805	0.302	2	113.7370	0.741	3	112.5562	2.220	6	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]N[6,6]C[6])2(H)2	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(H)2{1|Ga<5>,2|H<1>,4|C<3>}	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	114.5690	0.000	1	114.1805	0.302	2	113.7370	0.741	3	112.5562	2.220	6	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]N[6,6]C[6])2(H)2	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(H)2{1|In<6>,2|H<1>,4|C<3>}	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<3>,2|C<3>,2|H<1>}	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<3>,2|C<3>,2|H<1>}	112.8500	0.000	1	112.8500	0.000	1	113.7370	0.741	3	112.5562	2.220	6	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CCH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCH)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	108.6420	0.459	5	108.6420	0.211	5	108.6310	0.143	7	108.6310	0.143	7	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CC[6a]O)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CC[6a]O)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	108.5280	0.000	1	108.5280	0.000	1	108.6310	0.143	7	108.6310	0.143	7	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(COO)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(COO)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	108.6790	0.000	1	108.6790	0.000	1	108.6310	0.143	7	108.6310	0.143	7	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[5a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[5a]C[5a]N[5a])(H)	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,5|C<4>}	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	110.1740	0.000	1	110.1740	0.000	1	110.1740	0.000	1	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	108.4530	0.475	5	109.1980	0.624	41	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	108.7370	0.000	1	109.1980	0.624	41	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	107.9690	0.000	1	109.1980	0.624	41	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	109.7740	0.000	1	109.1980	0.624	41	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	109.7581	0.433	16	109.1980	0.624	41	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	109.5171	0.292	9	109.1980	0.624	41	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|H<1>,5|C<3>}	108.7610	0.000	1	109.1980	0.624	41	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	108.2613	0.758	7	109.1980	0.624	41	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	109.0355	0.268	2	108.6603	0.107	19	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,2|O<2>,3|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	108.6950	0.000	1	108.6603	0.107	19	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	109.0200	0.000	1	108.6603	0.107	19	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	108.6240	0.000	1	108.6603	0.107	19	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	108.6960	0.000	1	108.6603	0.107	19	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	108.5722	0.335	13	108.6603	0.107	19	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	109.1238	0.161	4	109.1238	0.026	4	109.0337	0.488	64	109.0513	0.500	65	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:1:	4:4:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H){1|N<3>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	109.6400	0.000	1	109.3530	0.148	3	109.6226	0.354	9	109.6226	0.354	9	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	108.9160	0.000	1	109.3530	0.148	3	109.6226	0.354	9	109.6226	0.354	9	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	109.5030	0.000	1	109.3530	0.148	3	109.6226	0.354	9	109.6226	0.354	9	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	109.7090	0.000	1	109.7090	0.000	1	109.6226	0.354	9	109.6226	0.354	9	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CH3)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CH3)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	109.8100	0.499	2	109.5320	0.356	3	109.6226	0.354	9	109.6226	0.354	9	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CH3)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CH3)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	108.9760	0.000	1	109.5320	0.356	3	109.6226	0.354	9	109.6226	0.354	9	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	109.3840	0.000	1	110.1195	1.082	2	109.6226	0.354	9	109.6226	0.354	9	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	110.8550	0.000	1	110.1195	1.082	2	109.6226	0.354	9	109.6226	0.354	9	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CH3)2{1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	108.6145	0.192	2	108.6145	0.037	2	108.6145	0.037	2	108.6145	0.037	2	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:4:4:	3:4:3:	4:4:3:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6]O[6]Li)(C[6]C[6,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(CH3)2{1|Li<5>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]H){1|Li<4>,2|Li<5>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]O[6]Li)(C[6]C[6,6]CC)(C[6]C[6]H){1|Li<4>,1|H<1>,3|C<3>}	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:4:4:	4:4:3:	4:4:3:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C[6,6](C[6,6]C[6]O[6]Th)(C[6]C[6,6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6]O[6]Th)(C[6]C[6,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(CH3)2{1|Th<17>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]Th)(C[6]C[6,6]CC)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]Th)(C[6]C[6,6]CC)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>}	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6,6]	5:3:3:1:	4:4:3:	4:4:3:	C[3x3,4,3x5,14x6]-5:C[6,6]-3:C[6,6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6]C[3x3,4,3x5,14x6]C[6,6]H)(C[6,6]C[6]N[6]Zr)(C[6]C[6]H)	C[6,6](C[6]C[3x3,4,3x5,14x6]C[6,6]H)(C[6,6]C[6]N[6]Zr)(C[6]C[6]H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6,6]C[6,6]C[6])2(H){1|Zr<14>,1|C<5>,1|N<3>,4|C<3>,5|B<6>,6|H<1>}	C[6,6](C[6]C[3x3,4,3x5,14x6]C[6,6]H)(C[6,6]C[6]N[6]Zr)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,4|B<6>}	C[6,6](C[6]C[3x3,4,3x5,14x6]C[6,6]H)(C[6,6]C[6]N[6]Zr)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,4|B<6>}	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	109.2848	1.414	93	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	115.1760	0.000	1	115.1760	0.000	1	115.1760	0.000	1	115.1760	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	3:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	112.8890	0.000	1	112.8890	0.000	1	112.8890	0.000	1	112.8890	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	3:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){1|Ni<3>,1|Ni<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]C)(H){1|Ni<4>,2|C<3>}	114.8180	0.000	1	114.8180	0.000	1	114.8180	0.000	1	114.8180	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	3:4:4:	4:2:1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	116.3340	2.266	2	116.4020	3.148	8	116.4020	3.148	8	116.4020	3.148	8	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	3:4:4:	4:2:1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	114.1130	0.092	2	116.4020	3.148	8	116.4020	3.148	8	116.4020	3.148	8	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	3:4:4:	4:2:1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	117.5805	0.532	4	116.4020	3.148	8	116.4020	3.148	8	116.4020	3.148	8	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	4:3:4:	4:2:1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]O[6]O)(H)2	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]O[6]O)(H)2{1|N<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	111.6910	0.000	1	111.6910	0.000	1	111.6910	0.000	1	112.3070	0.759	2	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	4:3:4:	4:2:1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,3|C<4>}	112.9230	0.000	1	112.9230	0.000	1	112.9230	0.000	1	112.3070	0.759	2	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	4:3:4:	4:3:1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Os<9>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	114.2760	0.273	2	114.1387	0.152	10	114.1387	0.152	10	114.1387	0.152	10	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	4:3:4:	4:3:1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Ru<9>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	114.1044	0.422	8	114.1387	0.152	10	114.1387	0.152	10	114.1387	0.152	10	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	4:3:4:	4:3:3:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	113.9670	0.075	2	113.9670	0.006	2	113.9670	0.006	2	113.9670	0.006	2	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.9520	1.246	2	109.9520	1.552	2	109.9520	1.552	2	109.9520	1.552	2	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	4:4:4:	3:4:1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,5|C<4>}	112.8230	0.000	1	112.8230	0.000	1	112.8230	0.000	1	112.8230	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:1:	4:4:4:	4:3:1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	123.3560	0.000	1	123.3560	0.000	1	123.3560	0.000	1	123.3560	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:1:	4:3:4:	4:4:3:	C[6,6]-3:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(CHH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(CHH){1|C<3>,1|H<1>,2|C<4>}	111.1200	0.000	1	111.1200	0.000	1	111.1200	0.000	1	111.1200	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:2:	4:3:4:	4:3:1:	C[6,6]-3:C[6]-3:O-2:O-2:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(OC)2	C[6,6](C[5,6]C[5,6,6a]C[5]O)(C[6,6]C[6]2)(C[6]C[6]OO)	C[6](C[6]C[6,6]OO)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(OC)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[5,6]C[5,6,6a]C[5]O)(C[6,6]C[6]2)(C[6]C[6]OO){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]OO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	112.8990	0.000	1	112.8990	0.000	1	112.8990	0.000	1	112.8990	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	113.9200	0.000	1	113.9200	0.000	1	113.9200	0.000	1	113.9200	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[5,6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CN){1|C<4>,1|H<1>,5|C<3>}	110.1270	0.000	2	110.1270	0.000	2	110.1270	0.000	2	108.8524	1.044	7	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]N[6])(CN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]N[6])(CN){1|H<1>,6|C<3>}	107.6460	0.000	2	107.6460	0.000	2	107.6460	0.000	2	108.8524	1.044	7	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	108.8070	0.219	3	108.8070	0.048	3	108.8070	0.048	3	108.8524	1.044	7	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO){2|C<3>}	109.0340	0.000	1	109.0340	0.000	1	109.1060	0.010	2	109.8972	1.296	8	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO){2|C<3>}	109.1780	0.000	1	109.1780	0.000	1	109.1060	0.010	2	109.8972	1.296	8	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[5,6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CC[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|O<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	111.2510	0.000	2	111.2510	0.000	2	110.1232	1.838	5	109.8972	1.296	8	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[5,6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CCO){2|C<4>,4|C<3>}	109.4490	0.000	1	109.4490	0.000	1	110.1232	1.838	5	109.8972	1.296	8	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[5,6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[5a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[5a]O){2|C<4>,4|C<3>}	110.5780	0.000	1	110.5780	0.000	1	110.1232	1.838	5	109.8972	1.296	8	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[5,6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[6a]O){2|C<4>,4|C<3>}	108.0870	0.000	1	108.0870	0.000	1	110.1232	1.838	5	109.8972	1.296	8	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	110.3500	0.000	1	110.3500	0.000	1	110.3500	0.000	1	109.8972	1.296	8	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	3:4:4:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,3|C<3>}	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	108.1125	2.666	2	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	3:4:4:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:S[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(S[6]O[6]OO)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(S[6]O[6]OO){1|C<2>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|S<4>,3|C<3>}	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	108.1125	2.666	2	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	110.9595	0.035	2	110.9595	0.001	2	110.9595	0.001	2	110.9595	0.001	2	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){5|C<3>}	108.6220	0.000	1	108.9028	0.071	5	108.5207	0.278	25	108.4559	0.362	27	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){1|H<1>,4|C<3>}	109.1390	0.233	2	108.9028	0.071	5	108.5207	0.278	25	108.4559	0.362	27	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){5|C<3>}	108.8070	0.147	2	108.9028	0.071	5	108.5207	0.278	25	108.4559	0.362	27	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<2>,1|O<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	108.3960	0.000	1	108.2595	0.037	2	108.5207	0.278	25	108.4559	0.362	27	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<2>,1|O<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	108.1230	0.000	1	108.2595	0.037	2	108.5207	0.278	25	108.4559	0.362	27	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	108.8133	0.535	3	108.4436	0.316	18	108.5207	0.278	25	108.4559	0.362	27	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	108.5550	0.000	1	108.4436	0.316	18	108.5207	0.278	25	108.4559	0.362	27	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	108.3753	0.592	13	108.4436	0.316	18	108.5207	0.278	25	108.4559	0.362	27	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	108.1100	0.000	1	108.4436	0.316	18	108.5207	0.278	25	108.4559	0.362	27	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	107.6455	1.159	2	107.6455	1.343	2	107.6455	1.343	2	108.4559	0.362	27	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	109.9880	0.000	1	110.5503	0.357	3	110.5503	0.357	3	109.8947	0.535	32	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.8315	0.490	2	110.5503	0.357	3	110.5503	0.357	3	109.8947	0.535	32	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	110.8590	0.000	1	110.8590	0.000	1	110.8590	0.000	1	109.8947	0.535	32	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.7310	0.000	1	110.7310	0.000	1	109.9485	0.454	23	109.8947	0.535	32	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	109.8680	0.865	2	109.9356	0.419	16	109.9485	0.454	23	109.8947	0.535	32	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.5327	0.590	4	109.9356	0.419	16	109.9485	0.454	23	109.8947	0.535	32	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	109.6906	0.560	9	109.9356	0.419	16	109.9485	0.454	23	109.8947	0.535	32	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	109.8870	0.000	1	109.9356	0.419	16	109.9485	0.454	23	109.8947	0.535	32	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	109.3070	0.000	1	109.3070	0.000	1	109.9485	0.454	23	109.8947	0.535	32	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O){4|C<3>}	110.4907	0.315	3	110.4907	0.099	3	109.9485	0.454	23	109.8947	0.535	32	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	109.1685	0.612	2	109.1685	0.374	2	109.9485	0.454	23	109.8947	0.535	32	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	109.1400	0.000	1	109.0608	0.032	5	109.0608	0.032	5	109.8947	0.535	32	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	109.0410	0.199	4	109.0608	0.032	5	109.0608	0.032	5	109.8947	0.535	32	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:4:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH){1|C<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,3|C<3>}	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:3:4:	4:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:C[5a]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N){1|C<4>,1|N<2>,4|C<3>}	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H){1|Br<1>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	109.8093	0.477	3	109.8093	0.228	3	109.8093	0.228	3	109.8093	0.228	3	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[6,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[5,6,6]-3:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6]N[5,6,6]C[6])(C[6a]C[6a]2)2(C[6]N[6]O)	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6a]2C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a]2)(N[6]C[5,6,6]H)(O)	C[6](C[6,6]N[5,6,6]C[6])(C[6a]C[6a]2)2(C[6]N[6]O){1|C<4>,6|C<3>,6|H<1>}	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6a]2C[6])(C[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6](C[6]C[6,6]C[6a]2)(N[6]C[5,6,6]H)(O){1|C<4>,1|N<3>,6|C<3>}	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6a]O[6])(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6,6]CH)(H){4|C<3>}	108.6990	0.000	1	108.6990	0.000	1	108.6990	0.000	1	108.6990	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:1:	4:4:3:	4:4:1:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:2:	4:4:3:	4:4:1:	C[6,6]-3:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	110.5835	1.944	2	110.5835	3.779	2	110.5835	3.779	2	110.5835	3.779	2	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	3:2:4:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:O[6]-2:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC)	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,1|O<2>}	111.3420	0.434	2	111.3420	0.188	2	111.3420	0.188	2	111.3420	0.188	2	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	3:3:4:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CC)	C[6](C[6]C[6,6]CC)(C[6]O[6]CC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|O<1>}	C[6](C[6]C[6,6]CC)(C[6]O[6]CC)(O){2|C<3>}	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	3:4:2:	4:3:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6]){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	113.3495	0.286	2	113.3495	0.082	2	113.4446	0.079	5	113.4446	0.079	5	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	3:4:2:	4:3:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	113.5080	0.319	3	113.5080	0.101	3	113.4446	0.079	5	113.4446	0.079	5	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	3:4:2:	4:3:2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6])	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OC){1|C<3>,1|O<1>,1|O<2>}	110.8730	0.000	1	110.8730	0.000	1	111.1890	0.200	2	111.1890	0.200	2	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	3:4:2:	4:3:2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OC){1|C<3>,1|O<1>,1|O<2>}	111.5050	0.000	1	111.5050	0.000	1	111.1890	0.200	2	111.1890	0.200	2	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	3:4:2:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6])	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6]){1|H<1>,2|O<1>,5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,1|O<2>}	112.9950	0.567	2	112.9950	0.322	2	112.2829	0.305	16	112.2829	0.305	16	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	3:4:2:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6])	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6]){1|H<1>,2|O<1>,5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,1|O<2>}	112.3495	0.767	2	112.3495	0.589	2	112.2829	0.305	16	112.2829	0.305	16	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	3:4:2:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,1|O<2>}	112.5990	0.000	1	112.5990	0.000	1	112.2829	0.305	16	112.2829	0.305	16	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	3:4:2:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6]){1|H<1>,2|O<1>,5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,1|O<2>}	112.1797	0.438	10	112.1126	0.222	11	112.2829	0.305	16	112.2829	0.305	16	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	3:4:2:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6]){2|H<1>,2|O<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,1|O<2>}	111.4420	0.000	1	112.1126	0.222	11	112.2829	0.305	16	112.2829	0.305	16	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	3:4:3:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6,6]CC)(C[6]O[6]CC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,2|O<1>}	C[6](C[6]C[6,6]CC)(C[6]O[6]CC)(O){2|C<3>}	110.1350	0.000	1	110.1350	0.000	1	110.1350	0.000	1	110.1350	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	3:4:4:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	111.7610	0.142	3	111.7610	0.020	3	111.7610	0.020	3	111.7610	0.020	3	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	4:4:3:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(CH3)2	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(CH3)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(O){1|C<3>,1|C<4>,1|H<1>}	111.9990	0.000	1	111.9990	0.000	1	111.9990	0.000	1	112.0464	0.145	9	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	4:4:3:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	112.3347	0.326	4	112.3347	0.107	4	112.0524	0.165	8	112.0464	0.145	9	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	4:4:3:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	112.0070	0.000	1	111.7705	0.112	2	112.0524	0.165	8	112.0464	0.145	9	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	4:4:3:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){2|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	111.5340	0.000	1	111.7705	0.112	2	112.0524	0.165	8	112.0464	0.145	9	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:4:	4:4:3:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	111.7695	0.292	2	111.7695	0.085	2	112.0524	0.165	8	112.0464	0.145	9	111.0704	6.275	161	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:1:	4:3:3:	3:4:4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	114.8735	0.063	2	114.8735	0.004	2	114.8735	0.004	2	114.8735	0.004	2	114.8735	0.004	2	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	2:3:3:4:	4:3:1:	4:3:2:	O-2:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6](OC[5x3,5x5,20x6])(C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(NC)	C[6](OC[5x3,5x5,20x6])(C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(NC){1|C<3>,2|H<1>}	114.0570	0.000	1	114.0570	0.000	1	114.0570	0.000	1	114.0570	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	2:4:4:	2:4:4:	C[6]-3:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:C-4:	O[6]-2:C[6]-4:C-4:	C[6](C[6]O[6]C)2(H)2	C[6](O[6]Ga[3x6])(C[6]C[6]HH)(CH3)	C[6](O[6]Ga[3x6])(C[6]C[6]HH)(CH3)	C[6](C[6]O[6]C)2(H)2{1|Ga<6>}	C[6](O[6]Ga[3x6])(C[6]C[6]HH)(CH3){1|C<4>,5|O<2>}	C[6](O[6]Ga[3x6])(C[6]C[6]HH)(CH3){1|C<4>,5|O<2>}	125.9900	0.000	1	125.9900	0.000	1	125.9900	0.000	1	125.9900	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:3:4:	3:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[4,6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[4,6]C[6a])(C[6]C[6]H)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]C[6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	114.4400	0.000	1	114.4400	0.000	1	114.4400	0.000	1	114.4400	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(Br)	C[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)2{1|Br<1>,1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|Br<1>,4|H<1>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(Br){2|C<3>,2|H<1>}	114.7480	0.052	2	114.7480	0.003	2	114.7480	0.003	2	114.7480	0.003	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:Cl-1:Cl-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)2(Cl)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]Cl2)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]Cl2)(O)	C[6](C[6]C[6,6a]O)2(Cl)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]Cl2)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]Cl2)(O){1|H<1>,1|O<1>,3|C<3>}	116.7400	0.000	1	116.7400	0.000	1	116.7400	0.000	1	120.1564	16.389	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<2>}	120.8160	0.000	1	120.8160	0.000	1	120.8160	0.000	1	120.1564	16.389	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]Ga[6]Si)(C[6]C[6]HH)(H)	C[6](C[6]Ga[6]Si)(C[6]C[6]HH)(H)	C[6](C[6]C[6]H)2(H)2{1|Ga<4>,2|Si<4>}	C[6](C[6]Ga[6]Si)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]Ga[6]Si)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	123.4730	0.000	1	123.4730	0.000	1	123.9740	0.502	2	120.1564	16.389	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]In[6]Si)(C[6]C[6]HH)(H)	C[6](C[6]In[6]Si)(C[6]C[6]HH)(H)	C[6](C[6]C[6]H)2(H)2{1|In<4>,2|Si<4>}	C[6](C[6]In[6]Si)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]In[6]Si)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	124.4750	0.000	1	124.4750	0.000	1	123.9740	0.502	2	120.1564	16.389	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	115.2780	0.000	1	115.2780	0.000	1	115.2780	0.000	1	120.1564	16.389	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	3:4:2:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	113.0830	0.000	1	113.0830	0.000	1	111.9955	2.365	2	111.9955	2.365	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	3:4:2:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	110.9080	0.000	1	110.9080	0.000	1	111.9955	2.365	2	111.9955	2.365	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	3:4:3:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|P<4>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H){1|C<4>,1|W<6>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(COO){1|C<4>,1|H<1>,2|C<3>}	111.0170	0.000	1	111.0170	0.000	1	111.0170	0.000	1	112.7984	1.729	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	3:4:3:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	113.1600	0.000	1	113.1600	0.000	1	113.2438	0.983	4	112.7984	1.729	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	3:4:3:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	113.8760	0.865	2	113.8760	0.749	2	113.2438	0.983	4	112.7984	1.729	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	3:4:3:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCO){1|C<3>,1|H<1>,2|C<4>}	112.0630	0.000	1	112.0630	0.000	1	113.2438	0.983	4	112.7984	1.729	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	3:4:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<2>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	114.0760	0.000	1	114.1605	0.014	2	114.1605	0.014	2	114.1605	0.014	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	3:4:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	114.2450	0.000	1	114.1605	0.014	2	114.1605	0.014	2	114.1605	0.014	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|Rh<8>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.0130	0.000	1	116.3995	26.115	2	113.6360	12.234	6	113.6360	12.234	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	112.7860	0.000	1	116.3995	26.115	2	113.6360	12.234	6	113.6360	12.234	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	114.7680	0.000	1	114.7680	0.000	1	113.6360	12.234	6	113.6360	12.234	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	112.9860	0.000	1	112.9860	0.000	1	113.6360	12.234	6	113.6360	12.234	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	110.5230	0.000	1	110.5230	0.000	1	113.6360	12.234	6	113.6360	12.234	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]N[5]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,1|N<3>,1|N<4>}	C[6](C[6]N[5]N[6])(C[6]C[6]HH)(H){1|Ru<7>,1|B<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|Ru<7>,1|B<5>,1|C<3>,1|H<1>}	110.7400	0.000	1	110.7400	0.000	1	113.6360	12.234	6	113.6360	12.234	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:2:	3:4:2:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-3:C[6]-4:C-2:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN){1|N<2>,4|C<3>}	106.7330	0.576	2	106.7437	0.166	3	106.7437	0.166	3	106.7437	0.166	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:2:	3:4:2:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-3:C[6]-4:C-2:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN){1|H<1>,1|N<2>,3|C<3>}	106.7650	0.000	1	106.7437	0.166	3	106.7437	0.166	3	106.7437	0.166	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:2:	4:3:3:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|N<2>,1|S<4>}	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:2:	4:4:3:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	C[6](C[6]C[6]HH)(C[6]N[6]HO)(CHH)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(CHH){1|N<2>,2|C<3>}	111.4910	0.000	1	111.4910	0.000	1	111.4910	0.000	1	111.4910	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:3:	3:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(H)2{3|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>}	111.3055	0.336	2	111.3055	0.113	2	111.3055	0.113	2	114.7680	13.859	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:3:	3:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>}	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	114.7680	13.859	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:3:	3:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[5]-3:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6,6]H)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	114.2720	0.000	1	114.2720	0.000	1	114.2720	0.000	1	114.7680	13.859	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:3:	3:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|O<1>,4|C<3>}	117.1440	0.000	1	117.1440	0.000	1	117.1440	0.000	1	114.7680	13.859	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:3:	3:4:3:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]N)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(COO)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)2{2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]N){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(COO){1|S<4>,4|C<3>}	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:3:	4:2:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|O<1>,2|C<3>}	119.7975	0.496	2	119.7975	0.246	2	119.7975	0.246	2	119.7975	0.246	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|Pt<5>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8500	0.000	2	119.8500	0.000	2	119.8500	0.000	2	119.8500	0.000	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:3:	4:3:3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)2(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO){1|C<4>,2|C<3>}	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:3:	4:4:3:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-3:	C[6](C[6]C[5,6]C)2(H)2	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCC)	C[6](C[6]C[5,6]C)2(H)2{1|C<4>,1|H<1>,2|N<3>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(COO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCC){3|C<3>,3|C<4>}	112.1140	0.000	1	112.1140	0.000	1	112.1140	0.000	1	112.1140	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:4:	3:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHN)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|C<4>}	113.7210	0.000	1	113.7210	0.000	1	113.7210	0.000	1	113.7210	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:4:	3:4:4:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:C-4:	C[6](C[6]N[6]C)2(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]HH)(CH3)	C[6](C[6]N[6]C)2(H)2{1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	127.1130	0.419	2	127.1130	0.175	2	127.1130	0.175	2	127.1130	0.175	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:4:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|S<2>,2|C<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	113.6660	0.000	1	113.6660	0.000	1	113.6660	0.000	1	115.7735	8.883	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	3:4:4:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:P[5]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)2	C[6](C[6]C[6]P[5])(P[5]C[5]2Pt)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)2{1|Pt<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[6](C[6]C[6]P[5])(P[5]C[5]2Pt)(C[6]C[6]HH){1|C<3>,4|H<1>,6|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	117.8810	0.000	1	117.8810	0.000	1	117.8810	0.000	1	115.7735	8.883	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	C[6](C[6]O[6]O)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){1|O<1>,1|O<2>,2|C<4>}	116.0810	0.162	4	116.0810	0.026	4	115.4824	1.811	5	115.4824	1.811	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	113.0880	0.000	1	113.0880	0.000	1	115.4824	1.811	5	115.4824	1.811	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:2:1:	4:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:2:2:	4:2:2:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-2:	C[6]-4:O[6]-2:O-2:	C[6](C[6]O[6]O)2(H)2	C[6](C[6]C[6]HH)(O[6]Nb[6])(OC)	C[6](C[6]C[6]HH)(O[6]Nb[6])(OC)	C[6](C[6]O[6]O)2(H)2{1|Nb<6>}	C[6](C[6]C[6]HH)(O[6]Nb[6])(OC){3|Cl<1>,3|O<2>}	C[6](C[6]C[6]HH)(O[6]Nb[6])(OC){3|Cl<1>,3|O<2>}	115.3840	0.000	1	115.3840	0.000	1	115.3840	0.000	1	115.3840	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:2:3:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:N-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(NC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<2>,2|N<3>}	116.7640	0.000	1	116.7640	0.000	1	116.7640	0.000	1	116.7640	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:2:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H){1|C<3>,2|H<1>}	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:2:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-2:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(N[6]C[6])(CHHN){1|C<3>,2|H<1>}	121.4170	0.000	1	121.4170	0.000	1	121.4170	0.000	1	121.4170	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:Br-1:Br-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(Br)2	C[6](C[6]C[6]Br2)(N[6]C[6]H)(O)	C[6](C[6]C[6]Br2)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(Br)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]Br2)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]Br2)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	115.8484	0.933	5	115.8484	0.871	5	115.8484	0.871	5	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:Cl-1:Cl-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(Cl)2	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(Cl)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	116.0662	0.980	8	116.0662	0.959	8	116.0662	0.959	8	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]HH)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(Cl){1|Cl<1>,1|B<3>,1|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(Cl){1|Cl<1>,1|B<3>,1|C<3>}	108.4480	0.235	2	108.4480	0.055	2	108.4480	0.055	2	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]B[6]Si)(H)	C[6](C[6]C[6]HH)(C[6]B[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|Si<4>,1|B<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]B[6]Si)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]B[6]H)(H){1|C<3>,1|H<1>,2|N<3>}	115.6420	0.416	2	115.6420	0.173	2	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.3830	0.000	1	119.3830	0.000	1	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.7120	0.000	1	115.3739	6.364	9	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.8880	0.000	1	115.3739	6.364	9	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.8150	0.000	1	115.3739	6.364	9	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	113.8250	1.189	6	115.3739	6.364	9	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.4320	0.000	1	111.5580	38.200	6	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	112.8190	0.000	1	111.5580	38.200	6	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	112.1560	0.000	1	111.5580	38.200	6	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	101.0600	0.000	1	111.5580	38.200	6	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	111.4405	0.260	2	111.5580	38.200	6	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	119.1680	0.000	1	119.1680	0.000	1	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	116.5310	1.317	2	110.9099	12.382	8	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	109.6000	0.000	1	110.9099	12.382	8	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	108.8165	0.158	4	110.9099	12.382	8	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	109.3510	0.000	1	110.9099	12.382	8	113.5121	19.714	27	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	118.4535	0.323	4	118.4535	0.105	4	117.0709	1.394	37	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	116.9034	1.136	33	116.9034	1.290	33	117.0709	1.394	37	115.4572	11.199	79	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:C-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(C)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<1>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH){1|C<1>,1|C<3>,2|H<1>}	115.9550	0.000	1	115.9550	0.000	1	115.9550	0.000	1	113.2156	11.280	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:D-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(D)(H)	C[6](C[6]C[6]DH)(C[6]N[6]H)(H)	C[6](C[6]C[6]DH)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(D)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]DH)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]DH)(C[6]N[6]H)(CN){1|C<3>,2|H<1>}	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	113.2156	11.280	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|B<4>,1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN){1|B<4>,1|C<3>,2|H<1>}	111.5710	0.247	2	111.5710	0.061	2	111.5710	0.061	2	113.2156	11.280	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,2|H<1>}	117.4900	0.000	1	117.4900	0.000	1	117.4900	0.000	1	113.2156	11.280	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|H<1>}	114.6120	0.000	1	114.6120	0.000	1	116.5050	9.191	14	116.5050	9.191	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<3>,3|H<1>}	114.0270	0.000	1	114.0270	0.000	1	116.5050	9.191	14	116.5050	9.191	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>}	114.0150	0.000	1	114.0150	0.000	1	116.5050	9.191	14	116.5050	9.191	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[5]HH){1|C<3>,3|H<1>}	119.9540	0.000	1	119.9540	0.000	1	116.5050	9.191	14	116.5050	9.191	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	115.0793	1.463	3	115.0793	2.141	3	116.5050	9.191	14	116.5050	9.191	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN){1|C<3>,3|H<1>}	113.2100	0.000	1	113.2100	0.000	1	116.5050	9.191	14	116.5050	9.191	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<3>,3|H<1>}	113.7900	0.000	1	113.7900	0.000	1	116.5050	9.191	14	116.5050	9.191	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	120.1350	0.000	1	120.1350	0.000	1	116.5050	9.191	14	116.5050	9.191	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	120.9780	0.000	1	120.9780	0.000	1	116.5050	9.191	14	116.5050	9.191	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]P)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	118.4270	0.000	1	118.4270	0.000	1	116.5050	9.191	14	116.5050	9.191	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	121.4590	0.000	1	121.4590	0.000	1	116.5050	9.191	14	116.5050	9.191	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|H<1>}	115.2250	0.000	1	115.2250	0.000	1	116.5050	9.191	14	116.5050	9.191	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	115.7495	7.551	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.1197	0.249	3	117.1197	0.062	3	117.1197	0.062	3	115.7495	7.551	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:1:	4:4:3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|W<7>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC){1|C<3>,2|H<1>}	113.7970	0.000	1	113.7970	0.000	1	113.7970	0.000	1	113.7970	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	109.0445	0.175	2	109.0445	0.031	2	109.0445	0.031	2	109.0445	0.031	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:3:	4:2:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]C)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	C[6](C[6]C[6]C)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]C){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|C<3>,2|C<4>}	116.7343	0.037	3	116.7343	0.001	3	116.7343	0.001	3	116.7343	0.001	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	113.1430	0.000	1	113.1430	0.000	1	113.1430	0.000	1	114.6103	16.887	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	112.6195	0.105	2	112.6195	0.011	2	113.3632	11.461	4	114.6103	16.887	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCS){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.1170	0.000	1	118.1170	0.000	1	113.3632	11.461	4	114.6103	16.887	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	110.0970	0.000	1	110.0970	0.000	1	113.3632	11.461	4	114.6103	16.887	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[5a]2)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.0660	0.000	1	121.0660	0.000	1	121.0660	0.000	1	114.6103	16.887	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:3:	4:3:2:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]F)(CC)	C[6](C[6]C[6]C)2(H)2{1|C<4>,1|F<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO){1|C<2>,1|C<3>}	C[6](C[6]C[6]HH)(C[6]O[6]F)(CC){2|C<3>}	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	112.8485	4.110	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:3:	4:3:2:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP){2|C<3>,2|H<1>}	114.2820	0.000	1	114.2820	0.000	1	114.2820	0.000	1	112.8485	4.110	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)2(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|C<3>,2|H<1>}	115.4938	0.307	4	115.4938	0.094	4	114.8786	1.963	5	114.9548	1.605	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)2(H)2{1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	112.4180	0.000	1	112.4180	0.000	1	114.8786	1.963	5	114.9548	1.605	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN){2|C<3>,2|H<1>}	115.3360	0.000	1	115.3360	0.000	1	115.3360	0.000	1	114.9548	1.605	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.4370	0.000	1	120.4370	0.000	1	118.2920	9.202	2	115.1573	34.079	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	116.1470	0.000	1	116.1470	0.000	1	118.2920	9.202	2	115.1573	34.079	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]O[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(SC[6a]OO){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]HH)(C[6]O[6]H)(Cl){1|C<3>,1|S<4>}	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	115.1573	34.079	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:4:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	115.5600	0.000	1	115.5600	0.000	1	112.5314	3.243	5	112.7150	2.797	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:4:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Al<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Al<4>,1|C<3>,1|C<4>}	112.2305	0.559	2	111.7742	0.502	4	112.5314	3.243	5	112.7150	2.797	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:4:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	111.7430	0.000	1	111.7742	0.502	4	112.5314	3.243	5	112.7150	2.797	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:4:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Mg<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Mg<4>,1|C<3>,1|C<4>}	110.8930	0.000	1	111.7742	0.502	4	112.5314	3.243	5	112.7150	2.797	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:4:	4:3:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|S<4>,2|H<1>}	113.6330	0.000	1	113.6330	0.000	1	113.6330	0.000	1	112.7150	2.797	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:3:4:	4:4:3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)2(CN[5]H)	C[6](C[6]C[6]C)2(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	114.1920	0.000	1	114.1920	0.000	1	114.1920	0.000	1	114.1920	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:1:	3:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(C[6]N[5,6]O)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]N[5,6]O)(H)2{4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(O){1|O<1>,3|C<4>,3|H<1>}	105.8450	0.000	2	105.8450	0.000	2	105.8450	0.000	2	105.8450	0.000	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:1:	4:2:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	115.2720	0.000	1	115.2720	0.000	1	115.2720	0.000	1	115.2720	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:1:	4:3:1:	C[6]-3:C[6]-3:Cl-1:F-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:F-1:	C[6](C[6]C[3,6]O)(C[6]C[6]F)(Cl)(F)	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]ClF)(O)	C[6](C[6]C[6]ClF)(C[6]C[3,6]F)(F)	C[6](C[6]C[3,6]O)(C[6]C[6]F)(Cl)(F){2|C<4>,2|F<1>}	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]ClF)(O){1|H<1>,2|C<3>,2|F<1>}	C[6](C[6]C[6]ClF)(C[6]C[3,6]F)(F){1|F<1>,1|O<1>,2|C<4>}	115.0595	1.443	2	115.0595	2.083	2	115.0595	2.083	2	114.2063	3.225	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:1:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,3|H<1>}	112.5000	0.000	1	112.5000	0.000	1	112.5000	0.000	1	114.2063	3.225	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[4,5,6]O)(C[6]C[6]H)(H)2	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)	C[6](C[6]C[4,5,6]O)(C[6]C[6]H)(H)2{2|H<1>,3|C<4>}	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(C[6]C[6]HH)(O){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	114.8460	0.000	1	114.8460	0.000	1	114.8460	0.000	1	114.4289	5.851	8	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>}	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	114.4289	5.851	8	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<4>,2|H<1>}	116.1963	2.137	3	116.1955	3.045	4	116.1955	3.045	4	114.4289	5.851	8	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H){2|C<4>,2|H<1>}	116.1930	0.000	1	116.1955	3.045	4	116.1955	3.045	4	114.4289	5.851	8	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]O)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	112.5090	0.000	1	112.0790	0.370	2	112.0790	0.370	2	114.4289	5.851	8	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]O)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)2(O){1|O<1>,1|O<2>,2|C<4>}	111.6490	0.000	1	112.0790	0.370	2	112.0790	0.370	2	114.4289	5.851	8	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:2:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	Ge[6]-4:C[6]-4:P-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]Ge[6]P)(C[6]C[6]H)(H)2	C[6](Ge[6]C[6a]O[6]C)(C[6]C[6]HH)(PC[6a])	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]Ge[6]P)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](Ge[6]C[6a]O[6]C)(C[6]C[6]HH)(PC[6a]){1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|Ge<4>,1|P<2>}	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:3:	3:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|C<4>}	110.3320	0.000	1	110.3320	0.000	1	111.8295	4.485	2	111.8295	4.485	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:3:	3:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>}	113.3270	0.000	1	113.3270	0.000	1	111.8295	4.485	2	111.8295	4.485	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:3:	3:4:4:	C[6]-3:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:C-3:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(CHH)	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(CHH){3|C<3>,3|C<4>}	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,5|C<3>}	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[5]C[5]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.7620	0.000	1	119.7620	0.000	1	119.7620	0.000	1	117.6726	16.764	8	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>}	111.4900	0.000	1	111.4900	0.000	1	111.4045	0.015	2	117.6726	16.764	8	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(CHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<3>,1|C<4>}	111.3190	0.000	1	111.3190	0.000	1	111.4045	0.015	2	117.6726	16.764	8	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:P-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(PC[6a]2Ru)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(PC[6a]2Ru)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	118.9550	0.000	1	118.9550	0.000	1	119.7620	3.140	5	117.6726	16.764	8	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:P-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(PC[6a]AgC)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(PC[6a]AgC)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	120.6565	1.333	2	120.6565	1.777	2	119.7620	3.140	5	117.6726	16.764	8	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:P-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(PC[6a]RhC)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(PC[6a]RhC)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	119.2710	2.837	2	119.2710	8.048	2	119.7620	3.140	5	117.6726	16.764	8	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:3:	4:4:1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2){1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(O){1|C<3>,1|C<4>}	106.6990	0.000	1	106.6990	0.000	1	106.6990	0.000	1	106.6990	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:3:	4:4:3:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|C<3>,3|C<4>}	111.3210	0.000	1	111.3210	0.000	1	111.3210	0.000	1	111.3300	0.000	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:3:	4:4:3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|C<3>,3|C<4>}	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	111.3300	0.000	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:4:	4:4:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:B-4:	C[6](C[6]C[6]B)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CF3)	C[6](C[6]C[6]HH)2(BC[6a]3)	C[6](C[6]C[6]B)(C[6]C[6]C)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CF3){1|B<4>,2|C<4>}	C[6](C[6]C[6]HH)2(BC[6a]3){3|C<4>}	122.1235	0.264	2	122.1235	0.070	2	122.1235	0.070	2	120.8990	4.533	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:1:	4:4:4:	4:4:4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)2(CF3)	C[6](C[6]C[6]HH)2(CF3)	C[6](C[6]C[6]C)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CF3){1|B<4>,2|C<4>}	C[6](C[6]C[6]HH)2(CF3){1|B<4>,2|C<4>}	118.4500	0.000	1	118.4500	0.000	1	118.4500	0.000	1	120.8990	4.533	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.9090	0.000	1	119.9090	0.000	1	119.9090	0.000	1	114.6944	20.692	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-2:O-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(CC)(O)	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br)	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br)	C[6](C[6]C[6]Br)2(CC)(O){2|Br<1>,1|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br){1|Br<1>,1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br){1|Br<1>,1|C<2>,1|C<3>,1|O<1>}	110.9740	0.177	2	110.9740	0.031	2	110.9740	0.031	2	114.6944	20.692	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:N-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(NN)(H)	C[6](C[6]C[6]HN)(N[6]C[6]H)(O)	C[6](C[6]C[6]HN)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(NN)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]HN)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	119.3700	0.000	1	119.3700	0.000	1	119.3700	0.000	1	114.6944	20.692	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OSi)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	112.2450	0.000	1	112.2450	0.000	1	112.2450	0.000	1	114.6944	20.692	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CC)(H)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)2(CC)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	111.2790	0.000	1	111.2790	0.000	1	111.2790	0.000	1	111.2790	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:O-2:O-2:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)2	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]OO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]OO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]OO)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]OO)(H){1|C<3>,1|H<1>,1|N<2>}	114.2950	0.000	1	114.2950	0.000	1	114.2950	0.000	1	113.5605	1.079	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:O-2:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)2(OC[6a])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]OO)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]OO)(O)	C[6](C[6]C[6,6a]O)2(OC[6a])2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]OO)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]OO)(O){1|H<1>,1|O<1>,3|C<3>}	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	113.5605	1.079	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	3:4:3:	3:4:1:	C[6]-3:C[6]-3:O-2:O-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)2	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]OO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(C[6]C[6]H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]OO)(H){2|O<2>,4|C<3>}	113.6640	0.139	3	113.6640	0.019	3	113.6640	0.019	3	113.6640	0.019	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br)	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br)	C[6](C[6]C[6]Br)2(CC)(OH){2|Br<1>,1|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br){1|Br<1>,1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br){1|Br<1>,1|C<2>,1|C<3>,1|O<2>}	111.0540	0.245	3	111.0540	0.060	3	111.0540	0.060	3	111.9872	3.810	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[6]CO)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[6]Cl)2(CC)(OH){2|Cl<1>,1|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<2>,1|C<3>,1|O<2>}	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	111.9872	3.810	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-4:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6](C[6]C[6]F)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]F)(F)	C[6](C[6]C[6]CO)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(CC)(OH){1|C<4>,2|F<1>}	C[6](C[6]C[6]CO)(C[6]C[6]F)(F){1|C<2>,1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]F)(F){1|C<2>,1|C<3>,1|F<1>,1|O<2>}	109.3683	0.312	3	109.3683	0.097	3	109.3683	0.097	3	111.9872	3.810	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)(OC){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	111.7805	0.238	2	111.7893	0.029	3	111.9958	0.190	4	111.9872	3.810	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)(OC){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	111.8070	0.000	1	111.7893	0.029	3	111.9958	0.190	4	111.9872	3.810	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	112.6150	0.000	1	112.6150	0.000	1	111.9958	0.190	4	111.9872	3.810	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:C-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OSi)(CN)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OSi)(CN){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	112.5750	0.000	1	112.5750	0.000	1	112.5750	0.000	1	111.9872	3.810	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2	C[6](C[6]C[6]OO)(C[6]C[6]H)(H)	C[6](C[6]C[6]OO)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]OO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	115.7480	0.000	1	115.7480	0.000	1	115.4940	0.129	2	111.9872	3.810	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2	C[6](C[6]C[6]OO)(C[6]C[6]H)(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]OO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]OO)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	115.2400	0.000	1	115.2400	0.000	1	115.4940	0.129	2	111.9872	3.810	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(OH)2	C[6](C[6]C[6]OO)(N[6]C[6]H)(O)	C[6](C[6]C[6]OO)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(OH)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]OO)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]OO)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	113.8780	0.525	2	113.8780	0.275	2	113.8780	0.275	2	111.9872	3.810	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2	C[6](C[6]C[6]OO)(C[6]C[6]H)(CC)	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2{1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]OO)(C[6]C[6]H)(CC){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|O<2>}	112.6142	0.094	4	112.6142	0.009	4	112.6142	0.009	4	112.6142	0.009	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2	C[6](C[6]C[6]OO)(C[6]C[6]Br)(CHHO)	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2{1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]OO)(C[6]C[6]Br)(CHHO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	114.8460	0.000	1	114.8460	0.000	1	114.8460	0.000	1	114.8460	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:2:	4:3:4:	4:3:4:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)2(CC)(OH){1|C<3>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	116.0885	0.161	2	116.0885	0.026	2	116.0885	0.026	2	116.0885	0.026	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-3:Cl-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(COO)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]ClC)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(COO)(Cl){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]ClC)(H){1|O<1>,2|C<3>}	115.6530	0.000	1	115.6530	0.000	1	115.6530	0.000	1	118.2585	13.577	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:N-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NHH)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HN)(H){1|H<1>,2|C<3>}	120.8640	0.000	1	120.8640	0.000	1	120.8640	0.000	1	118.2585	13.577	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:1:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	110.9290	0.000	1	110.9290	0.000	1	110.9290	0.000	1	110.1270	1.286	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:1:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){1|O<1>,2|C<4>,3|C<3>}	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	110.1270	1.286	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:1:	4:3:2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CN)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CN){1|C<4>,2|H<1>,3|C<3>}	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	111.1934	0.252	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:1:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<2>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	111.3100	0.000	1	111.3800	0.104	4	111.3800	0.104	4	111.1934	0.252	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:1:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<2>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	111.4033	0.391	3	111.3800	0.104	4	111.3800	0.104	4	111.1934	0.252	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:1:	4:4:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CN[5]H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CN[5]H){2|H<1>,4|C<3>}	109.6260	0.000	1	109.6260	0.000	1	110.9345	3.424	2	110.9345	3.424	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:1:	4:4:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHN)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHN){1|N<3>,2|H<1>,3|C<3>}	112.2430	0.000	1	112.2430	0.000	1	110.9345	3.424	2	110.9345	3.424	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:2:	4:3:2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C-2:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6a]C[6]H)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(CN)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,2|C<3>,3|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6a]C[6]H)(CN){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CC[6a]O)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)2(CC[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O){4|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){2|C<3>}	110.3740	0.000	1	110.3740	0.000	1	110.7840	0.336	2	110.8583	0.185	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(COO)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO)	C[6](C[6]C[6]C)2(COO)(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O){4|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO){2|C<3>}	111.1940	0.000	1	111.1940	0.000	1	110.7840	0.336	2	110.8583	0.185	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(CNO)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(CNO){1|C<4>,4|C<3>}	111.0070	0.000	1	111.0070	0.000	1	111.0070	0.000	1	110.8583	0.185	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:4:	3:4:4:	C[6]-3:C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){2|C<4>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3){2|C<3>,2|C<4>}	112.4840	0.000	1	112.4840	0.000	1	112.4840	0.000	1	112.8525	0.272	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:4:	3:4:4:	C[6]-3:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3){2|C<4>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|C<3>,2|C<4>}	113.2210	0.000	1	113.2210	0.000	1	113.2210	0.000	1	112.8525	0.272	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	3:4:4:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(CH3){1|H<1>,1|S<4>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H){1|C<4>,1|S<4>,3|C<3>}	112.5000	0.000	1	112.5000	0.000	1	112.5000	0.000	1	112.5000	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:2:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(N[6]N[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]N[6])(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|N<2>,4|C<3>}	106.1450	0.000	1	106.1450	0.000	1	106.1450	0.000	1	106.1450	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:2:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2(H){2|H<1>,5|C<3>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	112.8541	13.606	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:1:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)2(H){2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|S<4>,3|C<3>}	109.2100	0.000	1	109.2100	0.000	1	109.2100	0.000	1	112.8541	13.606	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	112.8541	13.606	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	112.8541	13.606	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.8180	0.000	1	117.8180	0.000	1	118.0810	19.443	3	112.8541	13.606	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a]Fe)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NC[6a]Fe)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	113.8090	0.000	1	113.8090	0.000	1	118.0810	19.443	3	112.8541	13.606	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]N)(H)	C[6](C[6]C[6]HN)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO)(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HN)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	122.6160	0.000	1	122.6160	0.000	1	118.0810	19.443	3	112.8541	13.606	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2)(H){3|C<4>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	112.8541	13.606	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	110.2520	0.327	2	110.2520	0.107	2	110.2520	0.107	2	112.8541	13.606	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:1:	N[5]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[5]C[5]N[5])(C[6]C[6]H)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H){1|N<2>,1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H){1|N<2>,1|N<4>,2|C<3>,2|H<1>}	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	112.8541	13.606	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:1:	N[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	113.0090	0.000	1	113.0435	0.002	2	113.0435	0.002	2	112.8541	13.606	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:1:	N[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|N<3>}	113.0780	0.000	1	113.0435	0.002	2	113.0435	0.002	2	112.8541	13.606	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){2|H<1>,5|C<3>}	108.9610	0.000	2	108.9610	0.000	2	108.9610	0.000	2	108.9610	0.000	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:4:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	104.1085	0.538	2	104.1085	0.290	2	104.1085	0.290	2	106.7830	21.604	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:4:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	106.7830	21.604	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:4:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H){3|C<3>,3|H<1>}	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:2:	4:3:2:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	109.1020	0.000	1	109.1020	0.000	1	109.1020	0.000	1	108.2816	0.573	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:2:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	108.3210	0.000	1	108.3210	0.000	1	108.2133	0.559	12	108.2816	0.573	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:2:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	108.3032	0.306	5	108.3032	0.094	5	108.2133	0.559	12	108.2816	0.573	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:2:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,3|C<3>}	107.4520	0.000	1	108.2260	0.612	3	108.2133	0.559	12	108.2816	0.573	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:2:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,3|C<3>}	108.6130	0.570	2	108.2260	0.612	3	108.2133	0.559	12	108.2816	0.573	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:2:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CN){1|C<2>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CN){1|C<2>,4|C<3>}	107.2660	0.000	1	107.2660	0.000	1	108.2133	0.559	12	108.2816	0.573	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:2:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	107.0590	0.000	1	107.0590	0.000	1	108.2133	0.559	12	108.2816	0.573	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:2:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|Cl<1>,1|S<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CN){1|C<2>,1|H<1>,3|C<3>}	109.7190	0.000	1	109.7190	0.000	1	108.2133	0.559	12	108.2816	0.573	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO){1|C<2>,3|C<3>}	108.4149	0.369	7	108.4149	0.136	7	108.4149	0.136	7	108.4149	0.136	7	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(COO)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(COO){1|H<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|S<4>,6|C<3>}	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	3:4:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-4:N-3:	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(COO)	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO)	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(COO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO){2|C<4>,4|C<3>}	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:2:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-2:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H){2|C<3>,3|C<2>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6])(H){4|C<3>}	109.5820	0.000	1	109.5820	0.000	1	109.5820	0.000	1	109.5820	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Re<6>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	107.2020	0.000	1	107.2020	0.000	1	107.2020	0.000	1	109.3967	1.802	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|S<4>,4|C<3>}	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	109.3967	1.802	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	111.6950	0.320	2	111.6950	0.102	2	109.4888	1.574	12	109.3967	1.802	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H){6|C<3>}	109.4320	0.000	1	109.4320	0.000	1	109.4888	1.574	12	109.3967	1.802	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|O<1>,4|C<3>}	108.2285	0.190	2	108.2285	0.036	2	109.4888	1.574	12	109.3967	1.802	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	110.0490	0.314	2	110.0490	0.099	2	109.4888	1.574	12	109.3967	1.802	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,4|C<3>}	108.0150	0.000	1	108.6445	0.793	2	109.4888	1.574	12	109.3967	1.802	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){5|C<3>}	109.2740	0.000	1	108.6445	0.793	2	109.4888	1.574	12	109.3967	1.802	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){5|C<3>}	108.3800	0.000	1	108.3800	0.000	1	109.4888	1.574	12	109.3967	1.802	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H){6|C<3>}	109.6100	0.000	1	109.6100	0.000	1	109.4888	1.574	12	109.3967	1.802	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){4|C<3>}	109.2100	0.000	1	109.2100	0.000	1	109.4888	1.574	12	109.3967	1.802	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|H<1>,1|O<2>,3|C<3>}	110.4570	0.000	1	110.4570	0.000	1	110.8255	0.272	2	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]S[6]S)(CC[5a]O)	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[6]C[5a]C[6]H)(C[6]S[6]S)(CC[5a]O){1|C<2>,1|S<2>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN){1|S<2>,3|C<3>}	111.1940	0.000	1	111.1940	0.000	1	110.8255	0.272	2	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]O[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]Br)(CN)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]O[6])(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]Br)(CN){4|C<3>}	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]C){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC){6|C<3>}	109.6585	0.378	2	109.6585	0.143	2	109.6585	0.143	2	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO){1|C<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	109.4040	0.000	1	109.4040	0.000	1	109.2783	0.367	22	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	109.6398	0.341	5	109.6398	0.116	5	109.2783	0.367	22	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CNS)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CNS){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN){1|H<1>,6|C<3>}	107.6060	0.000	1	107.6060	0.000	1	109.2783	0.367	22	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|H<1>,4|C<3>}	110.0520	0.000	1	109.2812	0.424	5	109.2783	0.367	22	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){5|C<3>}	109.0885	0.564	4	109.2812	0.424	5	109.2783	0.367	22	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO){1|C<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	109.2110	0.365	2	109.2110	0.133	2	109.2783	0.367	22	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CC[6a]O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CC[6a]O){1|C<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	109.9720	0.000	1	109.9720	0.000	1	109.2783	0.367	22	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){6|C<3>}	109.0040	0.000	1	109.0040	0.000	1	109.2783	0.367	22	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	109.0053	0.548	4	109.1848	0.264	6	109.2783	0.367	22	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	109.6700	0.000	1	109.1848	0.264	6	109.2783	0.367	22	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	109.4180	0.000	1	109.1848	0.264	6	109.2783	0.367	22	109.4327	0.486	27	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)2(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.0230	0.000	1	111.0230	0.000	1	110.1028	3.495	19	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|N<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	110.1000	0.000	1	110.1000	0.000	1	110.1028	3.495	19	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|N<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	108.4856	1.598	7	108.7870	2.916	8	110.1028	3.495	19	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|N<3>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.8970	0.000	1	108.7870	2.916	8	110.1028	3.495	19	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,1|O<2>,3|C<3>}	111.4660	0.834	2	111.4660	0.696	2	110.1028	3.495	19	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|O<2>,3|C<3>}	111.3465	0.357	2	111.3465	0.128	2	110.1028	3.495	19	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5]N[6])(COO)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[5]N[6])(COO){1|N<3>,2|H<1>,2|S<2>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	109.7890	0.000	1	109.7890	0.000	1	110.1028	3.495	19	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CCO){1|H<1>,1|S<2>,3|C<3>}	114.5450	0.000	1	114.5450	0.000	1	110.1028	3.495	19	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	109.9660	0.024	2	109.9660	0.001	2	110.1028	3.495	19	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]N[5a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]N[5a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	110.6440	0.000	1	110.6440	0.000	1	110.1028	3.495	19	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO)	C[6](C[6]C[6]C)2(COO)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]C)(CCO){2|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO){2|C<3>}	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]N)2(CCN)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]N)2(CCN)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	105.3970	0.000	1	105.3970	0.000	1	105.3970	0.000	1	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:Ga-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(GaC[6a]C)(H)	C[6](C[6]C[6]GaH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]GaH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])2(GaC[6a]C)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6]GaH)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]GaH)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	118.3610	0.000	1	118.3610	0.000	1	118.3610	0.000	1	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.4800	0.000	1	111.4800	0.000	1	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){1|H<1>,6|C<3>}	111.4430	0.000	1	111.4430	0.000	1	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.1740	0.000	1	110.1740	0.000	1	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	112.1630	0.000	1	111.3350	0.866	5	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	110.1680	0.000	1	111.3350	0.866	5	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	111.4480	0.830	3	111.3350	0.866	5	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O){1|H<1>,4|C<3>}	111.7630	0.000	1	111.7630	0.000	1	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO){1|H<1>,4|C<3>}	111.4400	0.000	1	111.4400	0.000	1	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.5707	0.510	12	110.8742	0.368	68	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.5030	0.278	3	110.8742	0.368	68	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.4260	0.000	1	110.8742	0.368	68	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.8977	0.489	18	110.8742	0.368	68	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.9035	0.682	33	110.8742	0.368	68	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	110.6850	0.000	1	110.8742	0.368	68	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO){5|C<3>}	109.7990	0.000	1	109.7990	0.000	1	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CNO){5|C<3>}	110.7070	0.000	1	110.7070	0.000	1	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO){5|C<3>}	110.2445	0.479	2	110.2445	0.229	2	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CHO){1|H<1>,4|C<3>}	111.2660	0.000	1	111.2660	0.000	1	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){1|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){1|C<4>,4|C<3>}	109.3672	0.456	5	109.4828	0.247	6	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){5|C<3>}	110.0610	0.000	1	109.4828	0.247	6	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){5|C<3>}	108.5680	0.000	1	108.4860	0.013	2	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){5|C<3>}	108.4040	0.000	1	108.4860	0.013	2	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO){4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){4|C<3>}	109.6430	0.000	1	109.6430	0.000	1	110.7412	0.637	92	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){2|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	107.4600	0.000	1	107.4600	0.000	1	108.5413	1.016	3	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO){1|C<4>,1|N<3>,3|C<3>}	109.4550	0.000	1	109.0820	0.278	2	108.5413	1.016	3	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO){1|C<4>,1|N<3>,3|C<3>}	108.7090	0.000	1	109.0820	0.278	2	108.5413	1.016	3	110.6008	1.966	118	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CH3){6|C<3>}	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|S<4>,3|C<3>}	110.3085	0.136	2	110.3085	0.019	2	110.3085	0.019	2	110.3085	0.019	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[3]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(C[3]C[3]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(C[3]C[3]2H){4|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<4>,3|C<3>}	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:3:4:	4:3:4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|P<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.6360	0.000	1	118.6360	0.000	1	118.6360	0.000	1	118.6360	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CNS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O)2(CNS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	116.7180	0.000	1	116.7180	0.000	1	116.7180	0.000	1	116.7180	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:4:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[5]C[5]N[5]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[5]C[5]N[5]H)(C[6]N[6]H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,4|C<3>}	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	108.3660	0.035	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:4:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CHH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CHH){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,3|C<3>}	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	108.3660	0.035	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:4:3:	4:3:3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:P[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|P<4>,3|C<3>}	110.4067	0.437	3	110.4067	0.191	3	110.4067	0.191	3	110.4067	0.191	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:1:	4:4:3:	4:3:4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	111.7223	1.212	3	111.7223	1.469	3	111.7223	1.469	3	111.7223	1.469	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:2:	3:4:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|O<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O){5|C<3>}	103.9830	0.000	1	104.8180	0.623	3	104.8180	0.623	3	104.8180	0.623	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:2:	3:4:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O){5|C<3>}	104.9190	0.000	1	104.8180	0.623	3	104.8180	0.623	3	104.8180	0.623	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:2:	3:4:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|O<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O){5|C<3>}	105.5520	0.000	1	104.8180	0.623	3	104.8180	0.623	3	104.8180	0.623	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]N[6]O)2(OH)	C[6](C[6]C[6]2O)(N[6]C[6]C)(O)	C[6](C[6]C[6]2O)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)2(OH){1|C<3>,2|C<4>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2O)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]2O)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	113.5460	0.000	1	113.5460	0.000	1	113.5460	0.000	1	110.3496	1.722	32	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	111.3450	0.000	1	109.9701	0.873	27	110.0488	0.898	29	110.3496	1.722	32	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	109.8864	0.941	24	109.9701	0.873	27	110.0488	0.898	29	110.3496	1.722	32	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	110.2875	0.261	2	109.9701	0.873	27	110.0488	0.898	29	110.3496	1.722	32	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	111.1110	0.187	2	111.1110	0.035	2	110.0488	0.898	29	110.3496	1.722	32	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(OH)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(OH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	113.1125	0.344	2	113.1125	0.119	2	113.1125	0.119	2	110.3496	1.722	32	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:4:1:	C[6]-3:C[6]-3:C-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)(OH){1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<3>,3|H<1>}	110.2890	0.000	1	110.2890	0.000	1	110.2890	0.000	1	110.2890	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:2:	4:3:2:	4:3:2:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-2:	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(OC){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,3|C<3>}	111.3370	0.000	1	111.3370	0.000	1	111.3370	0.000	1	111.3370	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:3:	3:4:1:	3:4:3:	C[6]-3:C[6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O){1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|O<1>,6|C<3>}	110.2812	0.877	5	110.2812	0.768	5	110.2812	0.768	5	110.2812	0.768	5	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:3:	3:4:1:	4:2:1:	C[6]-3:C[6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]O)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(O)	C[6](C[6]C[6a]C[6]N)(O[6]C[6,6a])(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]O)(NCC){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]N)(O[6]C[6,6a])(O){1|O<1>,4|C<3>}	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:3:	3:4:1:	4:2:2:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:N[6]-2:S-2:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]N[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O)	C[6](C[6]C[6a]2C[6])(N[6]C[6,6a])(SC[6a])	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]N[6]S){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O){1|H<1>,1|N<2>,1|S<2>,6|C<3>}	C[6](C[6]C[6a]2C[6])(N[6]C[6,6a])(SC[6a]){1|O<1>,6|C<3>}	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:3:	3:4:3:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6]C)(COO){1|O<1>,1|S<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O){1|H<1>,6|C<3>}	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:3:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-3:N-3:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CCN)(NHO)	C[6](C[6]C[6]CN)(O[6]C[6])(O)	C[6](C[6]C[6]CN)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CCN)(NHO){1|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	110.7000	0.000	1	110.7000	0.000	1	110.7000	0.000	1	110.7000	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:N-3:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCN)(NHO)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCN)(NHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	113.7400	0.416	2	113.7400	0.173	2	113.7400	0.173	2	113.2993	0.963	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2{1|Se<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H){1|C<2>,1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6a]Se[6])(H){1|C<2>,1|H<1>,6|C<3>}	113.8430	0.000	1	113.8430	0.000	1	113.8430	0.000	1	113.2993	0.963	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(C[6]C[6]H)2	C[6](C[6]C[6a]2C[6])(C[6]C[6]Se)(H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)2(C[6]C[6]H)2{1|Se<2>,5|C<3>,5|H<1>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]Se)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	111.8740	0.000	1	111.8740	0.000	1	111.8740	0.000	1	113.2993	0.963	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:C-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(OIr)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(OIr){1|C<3>,2|H<1>}	111.7780	0.000	2	111.7780	0.000	2	111.7780	0.000	2	111.7780	0.000	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:3:	4:3:4:	4:4:1:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	105.9630	0.908	2	105.9630	0.824	2	105.9630	0.824	2	105.9630	0.824	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:3:	4:4:1:	4:4:1:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	109.2145	1.121	2	109.2145	1.256	2	109.2145	1.256	2	109.2145	1.256	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:3:	4:4:3:	4:4:3:	C[6]-3:C[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)2(CCO)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH)	C[6](C[6]C[6]C)2(CCO)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH){1|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH){1|C<4>,3|C<3>}	111.2440	0.000	1	111.2440	0.000	1	111.2440	0.000	1	111.2440	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:N-3:C-4:	C[6,6a]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(NC[3x6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(NC[3x6]H)(CH3){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|O<1>,4|C<3>}	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:2:1:	4:2:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:O[6]-2:O-1:	C[6]-4:S[6]-2:S-1:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3)	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(S)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|S<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(S){1|O<1>,1|O<2>,3|C<3>}	108.9490	0.000	1	108.9490	0.000	1	108.9490	0.000	1	108.9490	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:2:2:	4:2:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:S[6]-2:N-2:	C[6]-4:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH)	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(NC[6a])	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(NC[6a]){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|N<2>,1|S<2>,3|C<3>}	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:2:1:	C[6]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-2:O-1:	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH)	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]N[6]C)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O){1|N<2>,2|C<4>,2|O<1>}	C[6](C[6]C[6]N[6]C)(N[6]C[6])(O){1|N<3>,2|C<4>,2|O<1>}	113.1370	0.000	1	113.1370	0.000	1	113.1370	0.000	1	113.1370	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3)	C[6](C[6]C[6]2C)(N[6]C[6]C)(O)	C[6](C[6]C[6]2C)(N[6]C[6]H)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6](C[6]C[6]2C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	110.9030	0.000	1	110.9030	0.000	1	110.9030	0.000	1	112.4262	3.413	29	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH)	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<4>,2|O<1>}	113.4837	0.395	3	113.4837	0.156	3	113.4837	0.156	3	112.4262	3.413	29	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CC[5]HH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CC[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	111.8290	0.000	1	111.8290	0.000	1	111.6589	2.632	7	112.4262	3.413	29	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3){1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H){1|H<1>,5|C<3>}	111.6917	0.778	3	112.2496	1.064	5	111.6589	2.632	7	112.4262	3.413	29	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3){1|S<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H){1|H<1>,1|O<1>,5|C<3>}	113.0865	0.844	2	112.2496	1.064	5	111.6589	2.632	7	112.4262	3.413	29	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2(CCHH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2(CCHH){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N[6])(H){1|Al<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N[6])(H){1|Al<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	108.5350	0.000	1	108.5350	0.000	1	111.6589	2.632	7	112.4262	3.413	29	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]Br)(O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	114.4580	0.000	1	114.4580	0.000	1	114.4580	0.000	1	112.4262	3.413	29	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	111.8970	0.000	1	111.9740	0.012	2	113.1515	1.269	12	112.4262	3.413	29	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	112.0510	0.000	1	111.9740	0.012	2	113.1515	1.269	12	112.4262	3.413	29	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	113.3870	1.086	10	113.3870	1.180	10	113.1515	1.269	12	112.4262	3.413	29	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:S-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,2|C<3>,2|O<1>}	112.6530	0.000	1	112.6530	0.000	1	112.6530	0.000	1	112.4262	3.413	29	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:S-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|S<1>}	114.4960	0.000	1	114.4960	0.000	1	114.4960	0.000	1	112.4262	3.413	29	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:S-1:	C[6]-4:N[6]-3:S-1:	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S){1|N<3>,2|C<3>,2|S<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,2|C<3>,2|S<1>}	111.9000	0.000	1	111.9000	0.000	1	109.3233	6.030	3	112.4262	3.413	29	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:S-1:	C[6]-4:N[6]-3:S-1:	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S){1|N<3>,2|C<3>,2|S<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S){1|N<3>,2|C<3>,2|S<1>}	108.0350	1.450	2	108.0350	2.101	2	109.3233	6.030	3	112.4262	3.413	29	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3){2|O<2>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,5|C<3>}	114.5890	0.000	1	114.5890	0.000	1	114.5890	0.000	1	114.5890	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:4:	4:3:4:	4:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(CH3){1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3){1|C<4>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3){1|C<4>,5|C<3>}	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	C[6]-3:C[6]-3:P-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(PC[6]2Pd)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6]C[6]HP)	C[6](C[6]C[6,6a]H)(C[6]C[6]HP)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(PC[6]2Pd)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6]C[6]HP){2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HP)(H){3|C<3>}	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:Cl-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CC[6a]CH)(Cl)	C[6](N[6]C[6a]C[6])(C[6]C[6]ClC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]ClC)(O)	C[6](C[6]N[6]O)2(CC[6a]CH)(Cl){3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]ClC)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]ClC)(O){1|N<3>,2|C<3>,2|O<1>}	116.7230	0.000	1	116.7230	0.000	1	116.7230	0.000	1	116.7230	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	3:4:1:	4:2:1:	C[6]-3:C[6]-3:C-4:Br-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]CH)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O)	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]CH)(Br){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(O){1|O<1>,2|C<3>}	114.3650	0.000	1	114.3650	0.000	1	114.3650	0.000	1	114.3650	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	3:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	116.8310	0.000	1	116.8310	0.000	1	116.8310	0.000	1	116.8310	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	3:4:3:	2:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(CH3)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){3|C<3>}	111.2270	0.000	1	111.2270	0.000	1	111.2270	0.000	1	111.2270	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	3:4:3:	3:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:N[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(N[6]C[6]Al)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H){1|Al<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(N[6]C[6]Al){1|H<1>,5|C<3>}	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	108.6280	0.111	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	3:4:3:	3:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])2(CC3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])2(CC3)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){2|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){2|C<4>,5|C<3>}	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	108.6280	0.111	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	3:4:3:	4:3:2:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:N-2:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS){2|C<3>,2|H<1>}	110.8460	0.000	1	110.8460	0.000	1	110.8460	0.000	1	110.8460	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	3:4:4:	3:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	112.6820	0.000	1	112.6820	0.000	1	112.6820	0.000	1	112.6820	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	3:4:4:	3:4:4:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3){1|In<5>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3){1|C<3>,1|C<4>,1|N<3>}	116.3325	0.463	2	116.3325	0.215	2	115.9287	0.316	4	115.9287	0.316	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	3:4:4:	3:4:4:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3){1|In<5>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3){1|C<3>,1|C<4>,1|N<3>}	115.5250	0.287	2	115.5250	0.082	2	115.9287	0.316	4	115.9287	0.316	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CCCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CCCH)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	111.6140	0.000	1	111.6140	0.000	1	111.3430	4.284	21	111.3430	4.284	21	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[5a]HH)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	111.4160	0.000	1	111.4160	0.000	1	111.3430	4.284	21	111.3430	4.284	21	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]CC)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	109.6937	1.639	9	109.6937	2.686	9	111.3430	4.284	21	111.3430	4.284	21	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(O)	C[6](C[6]C[6]CH)(O[6]C[6,6])(O)	C[6](C[6]O[6]O)2(CC[6a]CH)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(O){1|O<1>,1|O<2>,2|C<4>}	113.7660	0.467	4	113.7660	0.218	4	111.3430	4.284	21	111.3430	4.284	21	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]CH)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	113.5870	0.783	2	113.5870	0.614	2	111.3430	4.284	21	111.3430	4.284	21	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	111.4230	1.263	4	111.4230	1.594	4	111.3430	4.284	21	111.3430	4.284	21	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:2:1:	4:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	115.8305	1.081	2	115.8305	1.169	2	114.6860	4.514	3	114.6860	4.514	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:2:1:	4:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	112.3970	0.000	1	112.3970	0.000	1	114.6860	4.514	3	114.6860	4.514	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<3>,1|O<2>,2|H<1>}	111.5290	0.000	1	111.5290	0.000	1	111.5290	0.000	1	111.5290	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6](C[6]C[6]F)2(BC[6a]3)(H)	C[6](C[6]C[6]BH)(C[6]C[6]F)(F)	C[6](C[6]C[6]BH)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(BC[6a]3)(H){1|C<3>,2|F<1>}	C[6](C[6]C[6]BH)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]BH)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	112.9570	0.000	1	112.9570	0.000	1	112.9570	0.000	1	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(BC[6a]3)(H)	C[6](C[6]C[6]BH)(C[6]C[6]H)(H)	C[6](C[6]C[6]BH)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(BC[6a]3)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]BH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]BH)(C[6]C[6]P)(H){1|H<1>,2|C<3>}	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[5,6]H)(H)	C[6](C[6]C[6]ClC)(C[6]C[5,6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(Cl){1|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]ClC)(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.3315	0.234	2	109.3315	0.055	2	109.3315	0.055	2	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]B[6]Si)(H)	C[6](C[6]C[6]CH)(C[6]B[6]H)(H)	C[6](C[6]C[6]H)2(CCCH)(H){1|Si<4>,1|B<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]B[6]Si)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(C[6]B[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	113.2830	0.000	1	113.2830	0.000	1	112.9252	56.711	15	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	110.6930	0.634	2	110.6930	0.401	2	112.9252	56.711	15	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	111.7040	0.000	1	111.7040	0.000	1	112.9252	56.711	15	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	111.1060	0.000	1	111.1060	0.000	1	112.9252	56.711	15	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]3)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	107.5700	0.000	1	107.5700	0.000	1	112.9252	56.711	15	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC[6a]HH)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	109.3920	0.000	1	109.3920	0.000	1	112.9252	56.711	15	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]Si[6]H)(H)	C[6](C[6]C[6]CH)(C[6]Si[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HH)(H){1|Si<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]Si[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]Si[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	117.0110	0.000	1	117.0110	0.000	1	112.9252	56.711	15	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	111.0920	0.000	1	111.0920	0.000	1	112.9252	56.711	15	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.2670	0.000	1	105.7964	418.794	2	112.9252	56.711	15	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	91.3259	0.000	1	105.7964	418.794	2	112.9252	56.711	15	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	119.9352	0.385	4	119.9352	0.148	4	112.9252	56.711	15	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	112.6750	0.000	2	112.6750	0.000	2	113.3515	0.610	4	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	114.0280	0.000	2	114.0280	0.000	2	113.3515	0.610	4	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6]CH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6]CH)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	116.1390	0.027	2	116.1390	0.001	2	116.1270	1.512	5	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]CH)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	115.6430	2.165	2	115.6430	4.688	2	116.1270	1.512	5	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	117.0710	0.000	1	117.0710	0.000	1	116.1270	1.512	5	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:N-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCHH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	113.2300	0.000	1	113.2300	0.000	1	113.2300	0.000	1	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(PCCH)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PCCH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	112.5630	0.000	1	112.5630	0.000	1	119.4622	3.272	17	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(PC[6]2N)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PC[6]2N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.0155	0.317	6	120.0155	0.101	6	119.4622	3.272	17	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(PC[6]2Ni)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PC[6]2Ni)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.4777	0.333	3	119.4777	0.111	3	119.4622	3.272	17	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(PC[6]2Pd)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PC[6]2Pd)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.8810	0.328	3	119.8810	0.107	3	119.4622	3.272	17	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(PC[6]PtC)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PC[6]PtC)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.0312	0.230	4	120.0312	0.053	4	119.4622	3.272	17	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:Si-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SiC[5]CC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SiC[5]CC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	110.2105	0.255	2	110.2105	0.065	2	110.2105	0.065	2	115.3036	29.949	48	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H)	C[6](C[6]C[6]BH)(C[6]C[6]C)(H)	C[6](C[6]C[6]BH)(C[6]C[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]H)(CN){1|C<3>,3|H<1>}	110.5100	0.346	2	110.5100	0.120	2	110.5100	0.120	2	110.5100	0.120	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:Si-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(SiC3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(SiC3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH){1|Si<4>,1|C<3>,2|H<1>}	109.9013	0.342	4	109.9013	0.117	4	109.9013	0.117	4	109.9013	0.117	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:4:1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]Cl2)(C[6]C[6]ClC)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)(Cl){3|Cl<1>,1|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]Cl)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl2)(C[6]C[6]ClC)(O){1|Cl<1>,1|C<3>,2|H<1>}	112.7180	0.000	1	112.7180	0.000	1	112.7180	0.000	1	112.5835	0.036	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:1:	4:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HW)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C[6](C[6]C[6]CH)(C[6]C[6]HW)(O){1|C<3>,2|H<1>}	112.4490	0.000	1	112.4490	0.000	1	112.4490	0.000	1	112.5835	0.036	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:2:	4:3:2:	C[6]-3:C[6]-3:Si-4:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6]C[6a]N[6])2(SiC3)(H)	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(N[6]Si[6])	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(N[6]Si[6])	C[6](C[6]C[6a]N[6])2(SiC3)(H){1|Si<4>,4|C<3>}	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(N[6]Si[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(N[6]Si[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	115.7100	0.000	1	115.7100	0.000	1	115.7100	0.000	1	115.7100	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:3:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]CH)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6])(H){1|H<1>,2|C<3>}	117.6820	0.000	1	117.6820	0.000	1	117.6820	0.000	1	117.6820	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	112.5890	0.000	1	112.5890	0.000	1	112.5890	0.000	1	112.5890	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:3:	4:3:2:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN)	C[6](C[6]C[6]C)2(CCCH)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){1|C<2>,1|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN){2|C<3>}	109.1890	0.000	1	109.1890	0.000	1	109.2465	0.007	2	109.2465	0.007	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:3:	4:3:2:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){1|C<2>,1|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN){2|C<3>}	109.3040	0.000	1	109.3040	0.000	1	109.2465	0.007	2	109.2465	0.007	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]C)2(CCHH)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO){1|C<4>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO){1|C<4>,2|C<3>}	107.9770	0.000	1	107.9770	0.000	1	109.7365	2.303	4	109.7365	2.303	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)2(CH3)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	110.5615	1.562	2	110.5615	2.440	2	109.7365	2.303	4	109.7365	2.303	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CHOO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]C)2(CHOO)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO){1|C<4>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO){1|C<4>,2|C<3>}	109.8460	0.000	1	109.8460	0.000	1	109.7365	2.303	4	109.7365	2.303	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:3:	4:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|C<3>,2|H<1>}	112.2215	0.411	2	112.2215	0.169	2	112.2215	0.169	2	112.2215	0.169	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:3:	4:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)	C[6](C[6]C[6]C)2(CCHH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH){2|C<3>}	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H)	C[6](C[6]C[6]CH)(C[6]C[6]S)(CHHO)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]CH)(C[6]C[6]S)(CHHO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>}	112.9100	0.000	1	112.9100	0.000	1	112.9100	0.000	1	112.9100	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:4:	4:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3)	C[6](C[6]C[6]C)2(CH3)(H){1|B<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3){1|C<4>,2|C<3>}	117.2770	0.000	1	117.2770	0.000	1	117.2770	0.000	1	118.0630	1.887	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:4:	4:3:4:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(PCHO)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]HP)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]C)2(PCHO)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	119.6490	0.000	1	119.6490	0.000	1	118.4560	2.846	2	118.0630	1.887	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:3:4:	4:3:4:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(PC[6]2Pd)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HP)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)2(PC[6]2Pd)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	117.2630	0.000	1	117.2630	0.000	1	118.4560	2.846	2	118.0630	1.887	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:4:1:	4:2:1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]ClC)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(Cl){1|H<1>,2|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]ClC)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	115.3240	0.000	1	115.3240	0.000	1	115.3240	0.000	1	115.3240	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]CH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]Cl)(H){1|C<3>,1|O<1>,2|C<4>}	111.0310	0.000	1	111.0310	0.000	1	111.0310	0.000	1	111.0310	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6a]2H)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O)2(CC[6a]2H)(Cl){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	106.8520	0.000	1	106.8520	0.000	1	106.8520	0.000	1	106.8520	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:4:2:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<4>}	110.3390	0.000	1	110.3390	0.000	1	110.3390	0.000	1	110.3390	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:4:3:	3:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	111.5130	0.000	1	111.5130	0.000	1	111.4825	0.002	2	111.4825	0.002	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:4:3:	3:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	111.4520	0.000	1	111.4520	0.000	1	111.4825	0.002	2	111.4825	0.002	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	116.8240	0.000	1	116.8240	0.000	1	116.8240	0.000	1	112.4677	14.373	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	112.4677	14.373	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]2Cr)(C[6]C[6]CH)(N[6]C[6]Mn)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)(H){1|Cr<9>,1|Mn<6>,1|C<5>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Cr)(C[6]C[6]CH)(N[6]C[6]Mn){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	112.4677	14.373	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:4:3:	4:3:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]CH)(CHH)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CN[5]O)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]CH)(CHH){1|C<4>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(CN[5]O){1|C<3>,2|C<4>}	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:1:	4:4:3:	4:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)2(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(OH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)	C[6](C[6]C[6]CO)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(OH){1|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CO){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	113.9440	0.000	1	113.9440	0.000	1	113.9440	0.000	1	113.9440	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC){1|Cl<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|O<1>}	115.6843	0.252	8	115.6786	0.056	9	115.6786	0.056	9	113.7576	5.576	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC){1|Cl<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|O<1>,2|C<3>}	115.6330	0.000	1	115.6786	0.056	9	115.6786	0.056	9	113.7576	5.576	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCHH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCHH)(OH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]CO)(O){1|O<1>,2|C<3>}	112.8860	0.000	1	112.8860	0.000	1	112.8860	0.000	1	113.7576	5.576	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)2(CCHH)(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6]H)2(CCHH)(OC){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H){1|C<4>,1|H<1>,2|C<3>}	109.8440	0.132	2	109.8440	0.017	2	111.0213	0.860	6	113.7576	5.576	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)2(CH3)(OH)	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6]H)2(CH3)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	111.6100	0.205	4	111.6100	0.042	4	111.0213	0.860	6	113.7576	5.576	16	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	3:4:1:	3:4:3:	C[6]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]CO)(CHO)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CO)(CHO){1|O<1>,2|C<3>}	110.0650	0.286	2	110.0650	0.082	2	110.0650	0.082	2	110.0650	0.082	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	3:4:3:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)(OH){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(O){1|O<2>,4|C<3>}	114.4730	0.000	1	114.4730	0.000	1	114.4730	0.000	1	114.4730	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-2:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS)	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS){1|C<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<1>}	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	112.5442	1.713	12	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(OO)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	113.2730	0.000	1	113.2730	0.000	1	112.7383	0.240	6	112.5442	1.713	12	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3)(OH){1|C<3>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	112.8315	0.524	2	112.8315	0.275	2	112.7383	0.240	6	112.5442	1.713	12	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	112.8940	0.000	1	112.8940	0.000	1	112.7383	0.240	6	112.5442	1.713	12	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHS)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHS)(OC){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	112.3000	0.461	2	112.3000	0.213	2	112.7383	0.240	6	112.5442	1.713	12	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	114.4935	0.497	2	114.4935	0.247	2	114.4935	0.247	2	112.5442	1.713	12	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]Si)(O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]Si)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	111.3490	0.000	1	111.3490	0.000	1	111.3490	0.000	1	112.5442	1.713	12	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CH3)(OH){3|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>}	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	112.5442	1.713	12	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)(OH)	C[6](C[6]C[6]CO)(N[6]C[6]H)(O)	C[6](C[6]C[6]CO)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]CO)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CO)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	112.7020	0.000	1	112.7020	0.000	1	112.7020	0.000	1	112.5442	1.713	12	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CH3)(OH){1|C<4>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:3:2:	4:3:2:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6a]CH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)2(CC[6a]CH)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	111.7370	0.000	1	111.7370	0.000	1	111.7370	0.000	1	111.7370	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<2>}	114.4390	0.490	3	114.4390	0.240	3	114.4390	0.240	3	114.4390	0.240	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<3>,2|C<4>}	113.7500	0.509	2	113.7500	0.259	2	113.7500	0.259	2	113.7500	0.259	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<4>,1|O<1>,1|O<2>}	114.6157	0.547	3	114.6157	0.299	3	114.6157	0.299	3	114.7185	0.242	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:S-2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a])	C[6](C[6]C[6]CC)(C[6]C[6]CS)(O)	C[6](C[6]C[6]CS)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a]){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CS)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CS)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<1>}	115.0270	0.000	1	115.0270	0.000	1	115.0270	0.000	1	114.7185	0.242	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)2(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)2(CH3)(OH){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,4|C<4>}	113.1370	1.508	3	113.1370	2.274	3	112.3540	2.287	5	111.6983	4.110	7	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)2(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)2(CH3)(OH){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,4|C<4>}	111.1795	0.018	2	111.1795	0.000	2	112.3540	2.287	5	111.6983	4.110	7	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6]HH)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(O)	C[6](C[6]C[6]O)2(CC[6]HH)(OH){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(O){1|H<1>,1|O<1>,2|C<4>}	112.0580	0.000	1	112.0580	0.000	1	110.0590	7.992	2	111.6983	4.110	7	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:2:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O)2(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	108.0600	0.000	1	108.0600	0.000	1	110.0590	7.992	2	111.6983	4.110	7	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:3:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCCH)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCCH)(NCH){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O){1|O<1>,2|C<3>}	114.6220	0.542	2	114.6220	0.293	2	114.6220	0.293	2	114.6220	0.293	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:3:	4:3:1:	4:2:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-2:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]CN)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS){1|C<3>,1|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|O<1>}	C[6](C[6]C[6]CN)(C[6]C[6])(Br){1|C<3>,1|H<1>,1|O<1>}	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(CCH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	109.8250	0.000	1	109.8250	0.000	1	109.8250	0.000	1	112.3694	3.482	7	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS)	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<1>}	110.4990	0.000	1	110.4990	0.000	1	110.4990	0.000	1	112.3694	3.482	7	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(NCC)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(NCC){1|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	111.6220	0.000	1	111.6220	0.000	1	111.8180	0.077	2	112.3694	3.482	7	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	112.0140	0.000	1	112.0140	0.000	1	111.8180	0.077	2	112.3694	3.482	7	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]HH)(NHO)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(NHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	114.2087	0.209	3	114.2087	0.044	3	114.2087	0.044	3	112.3694	3.482	7	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	109.5590	0.000	1	109.5590	0.000	1	109.5590	0.000	1	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[5a,6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O)	C[6](N[6]C[5a,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)2{1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5a,6]C[6a])(C[6]C[6]CC)(O){1|O<1>,4|C<3>}	115.9550	0.000	1	115.9550	0.000	1	115.9550	0.000	1	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CH3)2	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(O)	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(O){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H){1|O<1>,4|C<3>}	116.3183	0.281	3	116.3183	0.079	3	116.3183	0.079	3	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)(CH3){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(O){1|O<1>,2|C<3>}	112.6030	0.000	1	112.6030	0.000	1	112.6030	0.000	1	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)(CH3)	C[6](C[6]C[6a]S[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6a]S[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6]H)2(CC[6a]HH)(CH3){1|S<3>,2|C<3>}	C[6](C[6]C[6a]S[6])(C[6]C[6]CC)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]S[6])(C[6]C[6]CC)(H){1|H<1>,1|O<1>,3|C<3>}	113.2113	0.332	4	113.2113	0.110	4	113.2113	0.110	4	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[4,6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[4,6]O)(C[6]N[6]O)(CH3)2	C[6](N[4,6]C[4,6]P[4])(C[6]C[6]CC)(O)	C[6](N[6]C[4,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[4,6]O)(C[6]N[6]O)(CH3)2{1|P<3>,2|C<3>}	C[6](N[4,6]C[4,6]P[4])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[4,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	115.9285	1.701	2	115.9285	2.892	2	115.9285	2.892	2	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[5,6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	C[6](N[5,6]C[3,5,6]C[5,6])(C[6]C[6]CC)(O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[3,5,6]C[5,6])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|P<3>,2|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	110.6350	0.000	1	110.6350	0.000	1	112.8732	6.999	4	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[5,6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	114.7510	0.000	1	112.6575	8.765	2	112.8732	6.999	4	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[5,6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<4>,2|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	110.5640	0.000	1	112.6575	8.765	2	112.8732	6.999	4	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[5,6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	115.5430	0.000	1	115.5430	0.000	1	112.8732	6.999	4	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[5a,6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[5a,6]O)(C[6]N[6]O)(CC[6a]HH)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O)	C[6](N[6]C[5a,6]H)(C[6]C[6]CC)(O)	C[6](C[6]N[5a,6]O)(C[6]N[6]O)(CC[6a]HH)2{1|C<3>,1|H<1>,1|N<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|N<2>}	C[6](N[6]C[5a,6]H)(C[6]C[6]CC)(O){1|N<2>,1|N<3>,1|O<1>}	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(O)	C[6](N[6]C[5,6]H)(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|H<1>,2|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	114.2770	0.000	1	114.2770	0.000	1	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	112.3665	0.255	2	111.6062	1.356	13	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	112.3950	0.000	1	111.6062	1.356	13	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<2>,3|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<2>,3|C<3>}	111.8320	0.000	1	111.6062	1.356	13	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	111.0505	1.516	6	111.6062	1.356	13	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	111.8723	0.641	3	111.6062	1.356	13	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	113.7910	0.000	1	113.7625	0.002	2	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	113.7340	0.000	1	113.7625	0.002	2	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CC)(O)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	115.4820	0.000	1	115.4820	0.000	1	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<2>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	114.8540	0.000	1	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	112.8617	1.128	3	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	112.8387	0.495	3	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	114.0100	0.000	1	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|N<3>,1|O<1>,1|P<3>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|N<3>,1|O<1>,1|P<3>,2|C<3>}	112.4170	0.000	1	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	114.3910	0.000	1	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|B<3>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|B<3>,2|C<3>}	114.4280	0.000	1	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|S<2>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|S<2>}	113.4670	0.000	1	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	114.4000	0.000	1	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|N<3>,1|O<1>,2|C<3>}	110.2883	1.722	3	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|N<3>,1|O<1>,2|C<3>}	111.3667	2.823	3	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	112.7550	0.000	1	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	114.6308	1.411	5	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	113.3800	0.000	1	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<4>,1|N<3>,1|O<1>,2|C<3>}	111.0770	0.000	1	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<6>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<6>,1|N<3>,1|O<1>,2|C<3>}	111.1930	0.000	1	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<2>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<2>,2|C<3>}	111.2660	0.000	1	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	110.6243	2.157	8	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|O<1>}	115.4260	0.000	1	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ni<3>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ni<3>,1|N<3>,1|O<1>,2|C<3>}	113.4760	0.000	1	112.4809	4.495	39	112.4093	3.860	56	112.7931	4.605	73	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	3:4:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(OC){1|C<3>,1|O<1>,1|O<2>}	113.8503	0.902	4	113.8503	0.814	4	113.8503	0.814	4	113.8503	0.814	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	C[6]-4:N[6]-2:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]CC)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(CH3)2{2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<2>,1|O<1>,3|C<3>}	C[6](C[6]C[6]CC)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)(CH3)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)(CH3){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,1|O<2>}	113.3665	1.435	2	112.1139	1.764	18	112.1139	1.764	18	112.1139	1.764	18	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,1|O<2>}	111.9979	1.309	15	112.1139	1.764	18	112.1139	1.764	18	112.1139	1.764	18	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,1|O<2>}	111.3490	0.000	1	112.1139	1.764	18	112.1139	1.764	18	112.1139	1.764	18	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:3:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C-3:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6,6a]C)(CH3)2	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(CCH)	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6,6a]C)(CH3)2{1|C<3>,2|N<3>}	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(CCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H){5|C<3>}	115.4070	0.000	1	115.4070	0.000	1	115.4070	0.000	1	108.4740	36.425	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:3:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CCHH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I)	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CCHH)(CH3){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O){3|C<3>}	104.3950	0.000	1	104.3950	0.000	1	105.0075	0.750	2	108.4740	36.425	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	3:4:3:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CHHN)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I)	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CHHN)(CH3){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(O){3|C<3>}	105.6200	0.000	1	105.6200	0.000	1	105.0075	0.750	2	108.4740	36.425	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CCHH)(CH3){1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	112.8175	0.158	2	112.8175	0.025	2	113.9269	0.604	10	113.8743	0.574	11	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[5]HH)(CCHH)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[5]HH)(CCHH){1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	114.6430	0.000	1	114.6430	0.000	1	113.9269	0.604	10	113.8743	0.574	11	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHH)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHH){1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	114.5825	0.151	2	114.5825	0.023	2	113.9269	0.604	10	113.8743	0.574	11	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHN)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHN){1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	113.2570	0.000	1	113.2570	0.000	1	113.9269	0.604	10	113.8743	0.574	11	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(CH3){1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	114.4505	0.112	2	114.4505	0.013	2	113.9269	0.604	10	113.8743	0.574	11	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(CHHN)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(CHHN){1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	113.3210	0.000	1	113.3210	0.000	1	113.9269	0.604	10	113.8743	0.574	11	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	114.3470	0.000	1	114.3470	0.000	1	113.9269	0.604	10	113.8743	0.574	11	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:N-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(NHHO)(CH3)	C[6](C[6]C[6]CN)(O[6]C[6])(O)	C[6](C[6]C[6]CN)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(NHHO)(CH3){1|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	113.3480	0.000	1	113.3480	0.000	1	113.3480	0.000	1	113.8743	0.574	11	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-2:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]CC)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6])(O){1|O<1>,2|N<3>}	113.5233	0.058	3	113.1465	0.570	4	113.5563	0.769	6	113.5563	0.769	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-2:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]CC)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6])(O){1|N<3>,2|O<1>}	112.0160	0.000	1	113.1465	0.570	4	113.5563	0.769	6	113.5563	0.769	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-2:O-1:	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]C[6]CC)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH){1|C<3>,1|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<2>,1|O<1>,1|S<2>}	C[6](C[6]C[6]CC)(N[6]C[6])(O){1|N<3>,1|O<1>,1|S<2>}	114.3760	0.341	2	114.3760	0.116	2	113.5563	0.769	6	113.5563	0.769	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:2:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-2:N-3:	C[6](C[6]N[6]N)(C[6]N[6]O)(CCCH)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]CC)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(CCCH)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	110.6515	0.456	2	110.6515	0.208	2	110.6515	0.208	2	110.6515	0.208	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(CC3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCHH)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	109.6480	0.000	1	109.6480	0.000	1	110.6768	0.443	5	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]HH)(CC3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC[6]HH)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	111.1350	0.000	1	111.1350	0.000	1	110.6768	0.443	5	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	111.3400	0.000	1	111.3400	0.000	1	110.6768	0.443	5	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	110.6305	0.241	2	110.6305	0.058	2	110.6768	0.443	5	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	114.3635	0.659	6	114.3635	0.434	6	114.3635	0.434	6	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	113.9920	0.000	1	113.9920	0.000	1	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>}	113.2080	0.000	1	113.6653	0.603	4	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	113.8177	0.875	3	113.6653	0.603	4	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]Co)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]Co)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	112.7390	0.000	1	112.7390	0.000	1	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]Cu)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]Cu)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	112.8340	0.000	1	113.5703	0.489	4	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]Cu)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]Cu)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	113.8157	0.609	3	113.5703	0.489	4	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	113.8180	0.000	1	114.0890	0.192	24	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>}	113.9580	0.000	1	114.0890	0.192	24	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	114.1073	0.453	22	114.0890	0.192	24	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	113.2850	0.663	2	113.5710	0.258	4	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	113.8570	0.082	2	113.5710	0.258	4	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]Pd)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]Pd)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	113.9808	0.772	4	113.9808	0.597	4	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]Pt)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]Pt)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	114.7780	0.291	2	114.7780	0.085	2	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]Zn)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]Zn)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	114.0100	0.059	2	114.0100	0.004	2	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	115.3360	0.000	1	115.3360	0.000	1	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]HH)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	113.2430	0.237	3	113.2430	0.056	3	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>}	108.7000	0.000	1	108.7000	0.000	1	113.8305	0.910	51	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:S-1:	C[6]-4:N[6]-3:S-1:	C[6](C[6]N[6]S)2(CC[6a]HH)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(S)	C[6](C[6]C[6]CC)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)2(CC[6a]HH)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(S){1|N<3>,2|S<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(S){1|N<3>,2|S<1>}	113.5140	0.000	1	113.5140	0.000	1	113.5140	0.000	1	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)(NHHO)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCHH)(NHHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	114.6870	0.000	1	114.6870	0.000	1	114.6870	0.000	1	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:S-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CHSS)(SCOO)	C[6](C[6]C[6]CS)(N[6]C[6]C)(O)	C[6](C[6]C[6]CS)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CHSS)(SCOO){1|C<3>,2|C<4>}	C[6](C[6]C[6]CS)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]CS)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	113.4190	0.000	1	113.4190	0.000	1	113.4190	0.000	1	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:S-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC[6a]OO)(CH3)	C[6](C[6]C[6]CS)(C[6]C[6]C)(H)	C[6](C[6]C[6]CS)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(SC[6a]OO)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]CS)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CS)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	114.3320	0.000	1	114.3320	0.000	1	114.3320	0.000	1	113.6496	1.538	66	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(SC)	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3){1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(SC){1|C<3>,1|C<4>,2|H<1>}	111.0950	0.000	1	111.0950	0.000	1	111.0950	0.000	1	112.4245	3.535	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-2:	C[6](C[6]N[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]CC)(N[6]C[6]Pd)(OPd)	C[6](C[6]N[6]O)2(CCHH)2{1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(N[6]C[6]Pd)(OPd){1|N<3>,2|O<1>}	113.7540	0.000	1	113.7540	0.000	1	113.7540	0.000	1	112.4245	3.535	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:3:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NIrH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(NIrH){1|C<3>,2|H<1>}	111.4340	0.000	1	111.4340	0.000	1	111.4340	0.000	1	111.4340	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[5]HH)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]O)2(CC[5]HH)(CCHH){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)2(O){1|C<3>,1|O<1>,1|O<2>}	112.8517	0.536	3	112.8517	0.288	3	112.8517	0.288	3	112.8517	0.288	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(C[6]C[6]2)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCHH)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]2)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	115.2690	0.000	1	115.2690	0.000	1	114.5337	0.437	3	113.0969	0.854	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCHH)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCHH)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	114.1660	0.249	2	114.1660	0.062	2	114.5337	0.437	3	113.0969	0.854	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:N-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NP)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2{1|Ni<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<3>,2|N<2>}	112.7418	0.534	9	112.7418	0.285	9	112.7051	0.235	11	113.0969	0.854	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:N-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NP)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2{1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|N<2>,2|N<3>}	112.5400	0.040	2	112.5400	0.002	2	112.7051	0.235	11	113.0969	0.854	14	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:2:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CH3)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	111.9745	0.046	2	111.9745	0.002	2	112.1573	0.101	3	112.1573	0.101	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:2:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CH3)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	112.5230	0.000	1	112.5230	0.000	1	112.1573	0.101	3	112.1573	0.101	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:2:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC)	C[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]O)2(CCHH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC){1|C<4>,2|O<1>}	C[6](C[6]C[6]CC)2(O){1|C<3>,1|O<1>,1|O<2>}	113.5140	0.000	1	113.5140	0.000	1	113.9190	0.206	3	113.9190	0.206	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:2:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]O)2(CCHH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<4>,2|O<1>}	C[6](C[6]C[6]CC)2(O){1|C<3>,1|O<1>,1|O<2>}	114.1215	0.407	2	114.1215	0.165	2	113.9190	0.206	3	113.9190	0.206	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)2{1|Ni<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	109.5560	0.000	1	109.5560	0.000	1	110.6800	0.608	4	110.6800	0.608	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2{1|Ni<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	111.0615	0.374	2	111.0615	0.140	2	110.6800	0.608	4	110.6800	0.608	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)2{1|Ni<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	111.0410	0.000	1	111.0410	0.000	1	110.6800	0.608	4	110.6800	0.608	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCC)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)2(CH3)2{3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCC){3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){3|C<3>}	112.1010	0.044	2	112.1010	0.002	2	112.1010	0.002	2	112.1010	0.002	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:3:4:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[5a]HH)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[5a]HH)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	113.7140	0.000	1	113.7140	0.000	1	113.7140	0.000	1	113.7140	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,5,6]-4:C[6]-4:O-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[5,5,6]O)(C[6]C[6]O)(CCHH)2	C[6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[5,5,6]O)(C[6]C[6]O)(CCHH)2{2|C<3>,2|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(O){1|C<4>,1|O<1>,1|O<2>}	114.8820	0.000	1	114.8820	0.000	1	114.8820	0.000	1	113.7833	0.711	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)2(CH3)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)2(CH3)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(O){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(O){1|O<1>,2|C<4>,3|O<2>}	113.6865	0.293	2	113.6865	0.086	2	113.6865	0.086	2	113.7833	0.711	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:O-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(O){1|C<4>,1|O<1>,1|O<2>}	112.8780	0.000	1	112.8780	0.000	1	112.8780	0.000	1	113.7833	0.711	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:4:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHN)(CH3){1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	113.6370	1.340	4	113.6370	1.796	4	113.6370	1.796	4	113.6370	1.796	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CS)(O)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]CC)(C[6]C[6]CS)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,2|O<1>}	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:4:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6]HH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O)	C[6](C[6]C[6]CC)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)2(CC[6]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(OC){1|C<4>,2|O<1>}	112.5630	0.153	3	112.5630	0.024	3	112.5630	0.024	3	112.5630	0.024	3	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(O){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O){1|O<1>,1|O<2>,2|C<4>}	115.0740	0.000	1	115.0740	0.000	1	115.0740	0.000	1	112.6005	3.785	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CHHO)(CH3)	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CHHO)(CH3){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(O){1|C<4>,2|H<1>}	112.8855	0.500	2	112.8855	0.250	2	112.8855	0.250	2	112.6005	3.785	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6a]CH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O)2(CC[6a]CH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>}	114.0620	0.000	1	114.0620	0.000	1	111.5860	4.653	3	112.6005	3.785	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6a]HH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O)2(CC[6a]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.5830	0.000	1	110.5830	0.000	1	111.5860	4.653	3	112.6005	3.785	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6a]HH)(CHHN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O)2(CC[6a]HH)(CHHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>}	110.1130	0.000	1	110.1130	0.000	1	111.5860	4.653	3	112.6005	3.785	6	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:4:	4:4:2:	4:4:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]N)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]N)2(CH3)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|N<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|N<2>,3|C<4>}	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:3:	4:4:1:	4:4:1:	C[6a]-3:C-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	3:4:1:	3:4:1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H){1|C<6>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H){1|C<6>,2|H<1>,4|C<3>}	111.1315	0.310	2	111.1315	0.096	2	111.1315	0.096	2	111.1315	0.096	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:2:1:	4:2:1:	C-4:C[6]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](CC[6a]C[6]H)(C[6]O[6]O)2(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](CC[6a]C[6]H)(C[6]O[6]O)2(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	111.3685	2.552	2	111.3685	6.512	2	111.3685	6.512	2	111.5948	6.048	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:2:1:	4:2:1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5]C[5,6a]C[5]C)(C[6]O[6]O)2(H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O)	C[6](C[5]C[5,6a]C[5]C)(C[6]O[6]O)2(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	106.8170	0.000	1	106.8170	0.000	1	109.5330	14.753	2	111.5948	6.048	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:2:1:	4:2:1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5]C[5]2H)(C[6]O[6]O)2(H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O)	C[6](C[5]C[5]2H)(C[6]O[6]O)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	112.2490	0.000	1	112.2490	0.000	1	109.5330	14.753	2	111.5948	6.048	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:2:1:	4:2:1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]2)(C[6]O[6]O)2(H)	C[6](C[6]C[6]2H)(O[6]C[6])(O)	C[6](C[6]C[6]2H)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]2)(C[6]O[6]O)2(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6]2H)(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	112.5635	1.895	8	112.1032	5.047	9	112.1032	5.047	9	111.5948	6.048	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:2:1:	4:2:1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]2)(C[6]O[6]O)2(H)	C[6](C[6]C[6]2H)(O[6]C[6])(O)	C[6](C[6]C[6]2H)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]2)(C[6]O[6]O)2(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2H)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6]2H)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	108.4210	0.000	1	112.1032	5.047	9	112.1032	5.047	9	111.5948	6.048	13	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-2:O-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(N[6]C[6])(O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<2>}	C[6](C[6]C[6]2H)(N[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	107.7290	0.000	1	107.7290	0.000	1	107.7290	0.000	1	107.7290	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[4]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[4]C[6]H)(N[6]C[6]C)(O)	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[4]C[6]H)(N[6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	107.8780	0.000	1	107.8780	0.000	1	107.8780	0.000	1	116.1858	24.058	15	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)2(H){2|H<1>,3|C<3>,5|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	116.1858	24.058	15	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[5]C[5]2H)(C[6]N[6]O)2(H)	C[6](C[6]C[5]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[5]C[6]H)(N[6]C[6]C)(O)	C[6](C[5]C[5]2H)(C[6]N[6]O)2(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[5]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	116.2350	0.000	1	116.2350	0.000	1	116.2350	0.000	1	116.1858	24.058	15	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H)	C[6](C[6]C[6]2H)(C[6]N[6]H)(H)	C[6](C[6]C[6]2H)(C[6]N[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]2H)(C[6]N[6]H)(H){2|H<1>,4|C<3>}	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	116.1858	24.058	15	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(C[6]N[6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	116.1858	24.058	15	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6,6a]2H)(C[6]N[6]O)2(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	C[6](C[6]C[6,6a]2H)(C[6]N[6]O)2(H){2|C<4>,5|C<3>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	114.9700	0.000	1	114.9700	0.000	1	114.9700	0.000	1	116.1858	24.058	15	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](PC[6a]2Rh)(C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]2Rh)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	121.1340	0.000	1	121.1340	0.000	1	120.0261	0.413	8	116.1858	24.058	15	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](PC[6a]C[5]Cu)(C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]C[5]Cu)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.5110	0.000	1	120.5110	0.000	1	120.0261	0.413	8	116.1858	24.058	15	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](PC[6a]C[5]Pt)(C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]C[5]Pt)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.1480	0.000	1	120.1480	0.000	1	120.0261	0.413	8	116.1858	24.058	15	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](PC[6a]C[6]Au)(C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]C[6]Au)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.9075	0.066	2	119.9075	0.004	2	120.0261	0.413	8	116.1858	24.058	15	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](PC[6a]C[6]C)(C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]C[6]C)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.0380	0.000	1	120.0380	0.000	1	120.0261	0.413	8	116.1858	24.058	15	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](PC[6a]C[6]Re)(C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]C[6]Re)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.6510	0.000	1	119.6510	0.000	1	120.0261	0.413	8	116.1858	24.058	15	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](PC[6a]PdN)(C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](PC[6a]PdN)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.9120	0.000	1	118.9120	0.000	1	120.0261	0.413	8	116.1858	24.058	15	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:1:	Si-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](SiC[6a]2Pd)(C[6]C[6]H)2(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H)	C[6](SiC[6a]2Pd)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	115.7700	0.000	1	115.7700	0.000	1	115.7700	0.000	1	116.1858	24.058	15	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:1:	4:3:2:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(CN)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(CN){2|H<1>,4|C<3>}	108.8920	0.000	1	108.8920	0.000	1	108.8920	0.000	1	108.8920	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(C[6]N[6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.7495	0.015	2	108.7495	0.000	2	108.7495	0.000	2	108.7495	0.000	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:1:	4:3:4:	4:3:4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]2H)(C[6]C[6]C)2(H)	C[6](C[6]C[6]2H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]2H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]H)(CH3){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2H)(C[6]N[6]H)(CH3){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	107.4760	0.000	1	107.4760	0.000	1	107.4760	0.000	1	107.4760	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:2:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2O)(C[6]C[6]H)2(OC)	C[6](C[6]C[6]2O)(C[6]C[6]C)(H)	C[6](C[6]C[6]2O)(C[6]C[6]C)(H)	C[6](C[6]C[6]2O)(C[6]C[6]H)2(OC){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2O)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]2O)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	112.8840	0.000	1	112.8840	0.000	1	112.8840	0.000	1	112.8840	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:2:	4:3:1:	4:3:2:	C[6]-4:C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]2C)(C[6]C[6]Cl)(O)	C[6](C[6]C[6]2C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]Cl)(O){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	113.9300	0.000	1	113.9300	0.000	1	113.9300	0.000	1	113.9300	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2N)(C[6]C[6]H)2(NCC)	C[6](C[6]C[6]2N)(C[6]N[6]H)(H)	C[6](C[6]C[6]2N)(C[6]N[6]H)(H)	C[6](C[6]C[6]2N)(C[6]C[6]H)2(NCC){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2N)(C[6]N[6]H)(H){1|B<3>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]2N)(C[6]N[6]H)(H){1|B<3>,1|H<1>,1|N<3>,3|C<3>}	107.7880	0.304	2	107.7880	0.092	2	107.7880	0.092	2	107.7880	0.092	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:3:	4:3:2:	4:3:2:	P-4:C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-2:	C[6](PC[6a]2Rh)(C[6]C[6]O)2(CC[6a]C)	C[6](C[6]C[6]CP)(C[6]C[6]H)(ORh)	C[6](C[6]C[6]CP)(C[6]C[6]H)(OC)	C[6](PC[6a]2Rh)(C[6]C[6]O)2(CC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]H)(ORh){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CP)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<2>}	113.5155	0.199	2	113.5155	0.039	2	113.5155	0.039	2	113.5155	0.039	2	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:3:	4:4:1:	4:4:1:	C[6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)2	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,4|C<3>,7|H<1>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(O){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(O){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	111.0540	0.000	1	111.0540	0.000	1	111.0540	0.000	1	111.0540	0.000	1	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:4:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)2(CH3)	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)2(CH3){1|S<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	112.9045	2.537	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:4:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]2H)(C[6]N[6]O)2(CCHH)	C[6](C[6]C[6]2C)(N[6]C[6]H)(O)	C[6](C[6]C[6]2C)(N[6]C[6]H)(O)	C[6](C[6]C[6]2H)(C[6]N[6]O)2(CCHH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6]2C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	113.6703	0.535	3	113.6703	0.286	3	113.6703	0.286	3	112.9045	2.537	4	112.7166	11.573	1050	111.1397	14.427	1955
466	762	762	6:SP3_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:4:	4:3:1:	4:4:1:	C[3x6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO)	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]CC)(O)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]CC)(O){1|C<4>,3|C<3>,3|H<1>}	111.4785	0.002	2	111.4785	0.000	2	111.4785	0.000	2	111.4785	0.000	2	112.7166	11.573	1050	111.1397	14.427	1955